Geometry & MOs

Info

ID:	410540
PubChem CID:	135083339
Reduced:	AlO2H31C37 (1)
Stoich.:	AB2C31D37 (1)
Weight, g/mol:	630.213944
ΔH_f, kcal/mol:	-50.06
Dipole, Da:	0.7
IP(EA), eV:	-8.36(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-methyl-10,16-bis(4-phenylphenyl)-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-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

CC1=C(C(=CC=C1)C)C2=CC3=CC=CC=C3C4=C2O[Al](OC5=C4C6=CC=CC=C6C=C5C7=C(C=CC=C7C)C)C

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

CC1=C(C(=CC=C1)C)C2=CC3=CC=CC=C3C4=C2O[Al](OC5=C4C6=CC=CC=C6C=C5C7=C(C=CC=C7C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):