Geometry & MOs

Info

ID:	151402
PubChem CID:	53801208
Reduced:	C3H5 (4)
Stoich.:	A3B5 (4)
Weight, g/mol:	414.313395
ΔH_f, kcal/mol:	-9.97
Dipole, Da:	0.36
IP(EA), eV:	-8.74(1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl (4R)-4-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

Drug info:

PubChemData

Smile

CCC1=C(CCC=CCC1)CC

DOS

IR

Vibrations