Geometry & MOs

Info

ID:	22956
PubChem CID:	600123
Reduced:	OC21H34 (1)
Stoich.:	AB21C34 (1)
Weight, g/mol:	302.260966
ΔH_f, kcal/mol:	-105.64
Dipole, Da:	3.62
IP(EA), eV:	-9.53(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,10,13-tetramethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC1(C2CCC3C4CCCC4(CCC3C2(CCC1=O)C)C)C

DOS

IR

Vibrations