Geometry & MOs

Info

ID:	272226
PubChem CID:	103736035
Reduced:	ClN3O3H12C13 (1)
Stoich.:	AB3C3D12E13 (1)
Weight, g/mol:	399.98394
ΔH_f, kcal/mol:	-2.4
Dipole, Da:	8.4
IP(EA), eV:	-9.94(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-ethyl-4-iodo-N-(pyridin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1C#N)C(=O)C2=C(C(=CC=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations