Geometry & MOs

Info

ID:	151027
PubChem CID:	53790724
Reduced:	ON3C26H43 (1)
Stoich.:	AB3C26D43 (1)
Weight, g/mol:	346.169958
ΔH_f, kcal/mol:	-7.15
Dipole, Da:	3.27
IP(EA), eV:	-9.54(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(8R,9S,10R,13S,14S,17R)-6-chloro-17-hydroxy-10,13-dimethyl-1,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]ethanone

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC/C=C/C(C(CC)N=[N+]=[N-])OCC1=CC=CC=C1

DOS

IR

Vibrations