Geometry & MOs

Info

ID:	186223
PubChem CID:	77405455
Reduced:	INOC19H26 (1)
Stoich.:	ABCD19E26 (1)
Weight, g/mol:	340.251464
ΔH_f, kcal/mol:	-39.43
Dipole, Da:	4.51
IP(EA), eV:	-9.46(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-imidazol-1-yl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-6-ol

Drug info:

PubChemData

Smile

CC12CCNC(=O)C=C1CCC3C2CCC4(C3CC=C4I)C

DOS

IR

Vibrations