Geometry & MOs

Info

ID:	279200
PubChem CID:	103842009
Reduced:	BrClON2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	327.9978
ΔH_f, kcal/mol:	-0.38
Dipole, Da:	3.39
IP(EA), eV:	-7.95(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(2-cyanoethyl)-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N(C)C)NC(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations