Geometry & MOs

Info

ID:	271820
PubChem CID:	103693159
Reduced:	BrNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	331.05718
ΔH_f, kcal/mol:	-56.32
Dipole, Da:	3.21
IP(EA), eV:	-9.11(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-N-[2-(2-methylphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(C)NC(=O)C(C)Br

DOS

IR

Vibrations