Geometry & MOs

Info

ID:	127583
PubChem CID:	51007106
Reduced:	O3C25H34 (1)
Stoich.:	A3B25C34 (1)
Weight, g/mol:	718.371698
ΔH_f, kcal/mol:	-136.54
Dipole, Da:	4.17
IP(EA), eV:	-9.35(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,3R,4S)-3-[(1S,2R,3R,4S)-3-[3-(3,4-dimethoxyphenyl)-3-oxopropanoyl]oxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 3-(3,4-dimethoxyphenyl)-3-oxopropanoate

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

CC(C)(C)OC(=O)[C@]12C[C@@](CCC1=O)(C=C2)CCCCCCC3=CC=CC=C3

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

CC(C)(C)OC(=O)[C@]12C[C@@](CCC1=O)(C=C2)CCCCCCC3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):