Geometry & MOs

Info

ID:	197099
PubChem CID:	78921760
Reduced:	BrN2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	332.05243
ΔH_f, kcal/mol:	59.57
Dipole, Da:	1.94
IP(EA), eV:	-8.49(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]benzamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Br)NCC2=C3C=CNC3=CC=C2

DOS

IR

Vibrations