Geometry & MOs

Info

ID:	51104
PubChem CID:	12013728
Reduced:	OH16C22 (2)
Stoich.:	AB16C22 (2)
Weight, g/mol:	282.104465
ΔH_f, kcal/mol:	131.6
Dipole, Da:	1.13
IP(EA), eV:	-8.37(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C=CC1=CC=CC=C1/C=C\[C@]23[C@H]([C@@H]([C@H]2C4=C(O3)C=CC5=CC=CC=C54)C6=CC=CC=C6C=C)C7=CC8=C(O7)C=CC9=CC=CC=C98

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C=CC1=CC=CC=C1/C=C\[C@]23[C@H]([C@@H]([C@H]2C4=C(O3)C=CC5=CC=CC=C54)C6=CC=CC=C6C=C)C7=CC8=C(O7)C=CC9=CC=CC=C98

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):