Geometry & MOs

Info

ID:	128093
PubChem CID:	51030863
Reduced:	N2O2C23H36 (1)
Stoich.:	A2B2C23D36 (1)
Weight, g/mol:	346.262028
ΔH_f, kcal/mol:	-91.02
Dipole, Da:	4.5
IP(EA), eV:	-8.99(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,10R,13S,17S)-3-(2-aminoethoxyimino)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol

Drug info:

PubChemData

Smile

C[C@]12CC/C(=N/OC3CCNC3)/CC1CCC4C2CC[C@]5(C4CCC5=O)C

DOS

IR

Vibrations