Geometry & MOs

Info

ID:	271823
PubChem CID:	103693297
Reduced:	BrNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	336.9869
ΔH_f, kcal/mol:	-121.14
Dipole, Da:	2.51
IP(EA), eV:	-9.86(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(C)NC(=O)C1=CC=C(C=C1)CBr

DOS

IR

Vibrations