Geometry & MOs

Info

ID:	217249
PubChem CID:	85087502
Reduced:	ON2C23H26 (1)
Stoich.:	AB2C23D26 (1)
Weight, g/mol:	346.250795
ΔH_f, kcal/mol:	55.3
Dipole, Da:	6.16
IP(EA), eV:	-9.22(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-10,13-dimethyl-6-propyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione

Drug info:

PubChemData

Smile

CC(C(C1=CC=CC=C1)O)N(C)C(=CC(CC=C)C2=CC=CC=C2)C#N

DOS

IR

Vibrations