Geometry & MOs

Info

ID:	189296
PubChem CID:	77839480
Reduced:	NOC14H17 (2)
Stoich.:	ABC14D17 (2)
Weight, g/mol:	328.147473
ΔH_f, kcal/mol:	-41.14
Dipole, Da:	2.39
IP(EA), eV:	-8.44(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-fluoro-10,13-dimethyl-6-methylidene-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,7,17-trione

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C3=C(N2)C(CCC3CC=C)(CC)C(CC(=O)O)(C4=CC=CC=C4)N

DOS

IR

Vibrations