Geometry & MOs

Info

ID:	19957
PubChem CID:	575838
Reduced:	NO3C22H37 (1)
Stoich.:	AB3C22D37 (1)
Weight, g/mol:	363.277344
ΔH_f, kcal/mol:	-148.8
Dipole, Da:	2.68
IP(EA), eV:	-9.45(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(N-methoxy-C-methylcarbonimidoyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol

Drug info:

PubChemData

Smile

CC(=NOC)C1(CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O

DOS

IR

Vibrations