Geometry & MOs

Info

ID:	191638
PubChem CID:	78172026
Reduced:	NC3H5 (6)
Stoich.:	AB3C5 (6)
Weight, g/mol:	388.204988
ΔH_f, kcal/mol:	48.82
Dipole, Da:	2.68
IP(EA), eV:	-7.84(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17-acetyl-6-fluoro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate

Drug info:

PubChemData

Smile

CCN1C2CCCCC2N3C1=NN4C5CCCCC5N(C4=N3)CC

DOS

IR

Vibrations