Geometry & MOs

Info

ID:	138329
PubChem CID:	52348604
Reduced:	SO4N5C16H19 (1)
Stoich.:	AB4C5D16E19 (1)
Weight, g/mol:	296.188863
ΔH_f, kcal/mol:	-21.96
Dipole, Da:	10.88
IP(EA), eV:	-8.4(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(dimethylamino)-1-phenylethyl]-2-(2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NC(=O)[C@H](CCSC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations