Geometry & MOs

Info

ID:	277049
PubChem CID:	103826444
Reduced:	BrClNO3C11H11 (1)
Stoich.:	ABCD3E11F11 (1)
Weight, g/mol:	361.98215
ΔH_f, kcal/mol:	-107.29
Dipole, Da:	4.05
IP(EA), eV:	-9.91(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-[(3-cyanophenyl)methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(CC(=O)OC)C(=O)C1=CC(=CC(=C1)Br)Cl

DOS

IR

Vibrations