Geometry & MOs

Info

ID:	186225
PubChem CID:	77405576
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	380.246378
ΔH_f, kcal/mol:	10.36
Dipole, Da:	5.14
IP(EA), eV:	-9.04(-0.78)
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-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate

Drug info:

PubChemData

Smile

CC12CCNC(=O)CC1CCC3C2CCC4(C3=CC=C4N5C=CN=N5)C

DOS

IR

Vibrations