Geometry & MOs

Info

ID:	185034
PubChem CID:	77243440
Reduced:	NCl2O5C16H21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	379.274939
ΔH_f, kcal/mol:	-236.52
Dipole, Da:	6.08
IP(EA), eV:	-9.47(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-ethyl-10,13-dimethyl-17-pyrazin-1-ium-1-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(C(C(=O)N(CCCl)C1=CC=C(C=C1)Cl)O)O

DOS

IR

Vibrations