Geometry & MOs

Info

ID:	270875
PubChem CID:	103638484
Reduced:	ON2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	361.96829
ΔH_f, kcal/mol:	-23.49
Dipole, Da:	3.85
IP(EA), eV:	-10.29(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(1-cyanobutyl)-2-iodobenzamide

Drug info:

PubChemData

Smile

CCCC(C#N)NC(=O)C1=NNC(=O)C=C1

DOS

IR

Vibrations