Geometry & MOs

Info

ID:	279189
PubChem CID:	103841940
Reduced:	BrClNOF2H9C10 (1)
Stoich.:	ABCDE2F9G10 (1)
Weight, g/mol:	313.98215
ΔH_f, kcal/mol:	-123.99
Dipole, Da:	2.52
IP(EA), eV:	-9.98(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(4-cyanobutyl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations