Geometry & MOs

Info

ID:	277126
PubChem CID:	103826871
Reduced:	BrClNO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	285.95085
ΔH_f, kcal/mol:	-82.64
Dipole, Da:	3.16
IP(EA), eV:	-9.9(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-(cyanomethyl)-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)(COC)NC(=O)C1=CC(=CC(=C1)Br)Cl

DOS

IR

Vibrations