Geometry & MOs

Info

ID:	269863
PubChem CID:	103619472
Reduced:	ON5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	339.9978
ΔH_f, kcal/mol:	16.78
Dipole, Da:	2.39
IP(EA), eV:	-10.38(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-chloro-N-(1-cyanocyclohexyl)benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1(CCCCC1)C#N)N2C=NC=N2

DOS

IR

Vibrations