Geometry & MOs

Info

ID:	150920
PubChem CID:	53790617
Reduced:	OF2N4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	272.214016
ΔH_f, kcal/mol:	-79.12
Dipole, Da:	2.84
IP(EA), eV:	-9.27(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9S,10S,13S,14S)-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-one

Drug info:

PubChemData

Smile

CNC(=O)N=C(N)N(CC1CC1)C2=C(C=CC(=C2)F)F

DOS

IR

Vibrations