Geometry & MOs

Info

ID:	22143
PubChem CID:	596082
Reduced:	OC31H50 (1)
Stoich.:	AB31C50 (1)
Weight, g/mol:	438.386166
ΔH_f, kcal/mol:	-117.05
Dipole, Da:	3.24
IP(EA), eV:	-9.33(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-6-(6-methylheptan-2-yl)pentacyclo[11.8.0.02,10.05,9.015,20]henicos-19-en-21-one

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(C(=O)C5=CCCCC5C4)C)C

DOS

IR

Vibrations