Geometry & MOs

Info

ID:	55835
PubChem CID:	17396631
Reduced:	BrN2O2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	302.082205
ΔH_f, kcal/mol:	-44.77
Dipole, Da:	2.79
IP(EA), eV:	-9.07(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-[(4-chlorophenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2Br

DOS

IR

Vibrations