Geometry & MOs

Info

ID:	312439
PubChem CID:	126604982
Reduced:	ON4C14H14 (1)
Stoich.:	AB4C14D14 (1)
Weight, g/mol:	396.266445
ΔH_f, kcal/mol:	68.15
Dipole, Da:	5.22
IP(EA), eV:	-8.2(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,8R,9S,10R,13S,14S)-10,13-dimethyl-6-(4-methylhex-2-ynoxy)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

Drug info:

PubChemData

Smile

CC1=CN(N=C1C2=C(C(=C3N2N=CC=C3)C=O)C)C

DOS

IR

Vibrations