Geometry & MOs

Info

ID:	26076
PubChem CID:	637989
Reduced:	NC9H15 (1)
Stoich.:	AB9C15 (1)
Weight, g/mol:	386.354866
ΔH_f, kcal/mol:	-22.84
Dipole, Da:	1.64
IP(EA), eV:	-8.79(3.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,8R,9R,10R,13S,14R,17S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)N3

DOS

IR

Vibrations