Geometry & MOs

Info

ID:	39094
PubChem CID:	8139683
Reduced:	BrN2O2C18H22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	376.07864
ΔH_f, kcal/mol:	-13.98
Dipole, Da:	2.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.002462
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenoxy)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)COC2=CC(=CC=C2)Br

DOS

IR

Vibrations