Geometry & MOs

Info

ID:	292382
PubChem CID:	114918125
Reduced:	ON3Cl4H7C12 (1)
Stoich.:	AB3C4D7E12 (1)
Weight, g/mol:	242.996617
ΔH_f, kcal/mol:	-3.37
Dipole, Da:	2.58
IP(EA), eV:	-9.38(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-(2-cyanoethyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1Cl)Cl)NC(=O)C2=CC(=NC=C2Cl)Cl

DOS

IR

Vibrations