Geometry & MOs

Info

ID:	179016
PubChem CID:	76420514
Reduced:	O2C11H17 (2)
Stoich.:	A2B11C17 (2)
Weight, g/mol:	435.31373
ΔH_f, kcal/mol:	-143.83
Dipole, Da:	4.24
IP(EA), eV:	-9.45(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(aminomethyl)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,10,12,12a,13,14-octahydropicen-2-one

Drug info:

PubChemData

Smile

CCC1C(O1)CC(C=CC=CCC=CCC=CCCCCCC(=O)O)O

DOS

IR

Vibrations