Geometry & MOs

Info

ID:	218280
PubChem CID:	85089122
Reduced:	OC7H11 (4)
Stoich.:	AB7C11 (4)
Weight, g/mol:	444.360345
ΔH_f, kcal/mol:	-229.04
Dipole, Da:	3.05
IP(EA), eV:	-9.19(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(5-ethyl-6-methylheptan-2-yl)-3,7-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-1-one

Drug info:

PubChemData

Smile

CC(C1CCC2C1(CCC3C2CC=C4C3(C=CC(C4)OC(=O)C)C)C)OCCC(C)(C)O

DOS

IR

Vibrations