Geometry & MOs

Info

ID:	395543
PubChem CID:	135025753
Reduced:	ON4H16C22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	280.182715
ΔH_f, kcal/mol:	102.21
Dipole, Da:	6.93
IP(EA), eV:	-9.11(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9R,13R,14R,17R)-17-ethenyl-13-methyl-7,8,9,11,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-12-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)C2=CC3=C(N2C4=NC=CC=N4)C=CC(=C3)C#N)C

DOS

IR

Vibrations