Geometry & MOs

Info

ID:	285863
PubChem CID:	104134074
Reduced:	OCl2N2C16H16 (1)
Stoich.:	AB2C2D16E16 (1)
Weight, g/mol:	308.048318
ΔH_f, kcal/mol:	-20.78
Dipole, Da:	4.89
IP(EA), eV:	-9.85(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(3-chlorophenyl)methyl]-6-ethylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)NC(C)C2=CC=CC=C2Cl)Cl

DOS

IR

Vibrations