Geometry & MOs

Info

ID:	214226
PubChem CID:	84974705
Reduced:	BrON2C19H22 (1)
Stoich.:	ABC2D19E22 (1)
Weight, g/mol:	372.08373
ΔH_f, kcal/mol:	31.84
Dipole, Da:	5.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.806645
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-methylphenyl)-2-[methyl(3-phenylprop-2-enyl)amino]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC=CC2=CC=CC=C2

DOS

IR

Vibrations