Geometry & MOs

Info

ID:	285862
PubChem CID:	104134057
Reduced:	OCl2N3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	322.063968
ΔH_f, kcal/mol:	-7.38
Dipole, Da:	2.23
IP(EA), eV:	-9.47(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-ethylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CC(=C1)C(=O)NC2=C(N=CC=C2)Cl)Cl

DOS

IR

Vibrations