Geometry & MOs

Info

ID:	188710
PubChem CID:	77758401
Reduced:	OC4H5 (6)
Stoich.:	AB4C5 (6)
Weight, g/mol:	288.20893
ΔH_f, kcal/mol:	-229.94
Dipole, Da:	3.97
IP(EA), eV:	-8.67(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C1C(C(C(C1=O)CCCCCCC(=O)O)C=C(CC2=CC=CC=C2)C3=COCO3)O

DOS

IR

Vibrations