Geometry & MOs

Info

ID:	39103
PubChem CID:	8139701
Reduced:	ON2C20H27 (1)
Stoich.:	AB2C20D27 (1)
Weight, g/mol:	380.0291
ΔH_f, kcal/mol:	0.73
Dipole, Da:	3.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.005334
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+](C)C

DOS

IR

Vibrations