Geometry & MOs

Info

ID:	21970
PubChem CID:	594461
Reduced:	O3C20H30 (1)
Stoich.:	A3B20C30 (1)
Weight, g/mol:	318.219495
ΔH_f, kcal/mol:	-167.19
Dipole, Da:	3.79
IP(EA), eV:	-9.35(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4b,8,8-tetramethyl-7-oxo-1,3,4,4a,5,6,8a,9-octahydrophenanthrene-2-carboxylate

Drug info:

PubChemData

Smile

CC1(C2CC=C3CC(CCC3C2(CCC1=O)C)(C)C(=O)OC)C

DOS

IR

Vibrations