Geometry & MOs

Info

ID:	322449
PubChem CID:	126670190
Reduced:	NC3H6 (2)
Stoich.:	AB3C6 (2)
Weight, g/mol:	401.292994
ΔH_f, kcal/mol:	24.51
Dipole, Da:	3.28
IP(EA), eV:	-9.36(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9S,10R,13S,14S,17S)-17-[(E)-N-(3-hydroxy-2-methylpropoxy)-C-methylcarbonimidoyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CCCC1CC(=N1)N

DOS

IR

Vibrations