Geometry & MOs

Info

ID:	144833
PubChem CID:	53421883
Reduced:	NO3C8H16 (1)
Stoich.:	AB3C8D16 (1)
Weight, g/mol:	377.0182
ΔH_f, kcal/mol:	-146.17
Dipole, Da:	5.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753512
Charge, e:	0

Chem-info

IUPAC name:

1-(9-bromophenanthren-3-yl)-2-(dimethylamino)ethanone;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)NCCC(C(=O)[O-])O

DOS

IR

Vibrations