Geometry & MOs

Info

ID:	275839
PubChem CID:	103818294
Reduced:	BrNO2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	332.05243
ΔH_f, kcal/mol:	-30.78
Dipole, Da:	3.62
IP(EA), eV:	-8.46(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-bromo-2-methylanilino)methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NCC2=C(C(=CC=C2)OC)OC

DOS

IR

Vibrations