Geometry & MOs

Info

ID:	217157
PubChem CID:	85087348
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	337.204179
ΔH_f, kcal/mol:	-22.29
Dipole, Da:	5.01
IP(EA), eV:	-8.61(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-methyl-3-pyrrolidin-1-yl-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-6,17-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2(CCC3C(C2)CNN3)C#N)OC4CCCC4

DOS

IR

Vibrations