Geometry & MOs

Info

ID:	285866
PubChem CID:	104134089
Reduced:	ClON2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	322.063968
ΔH_f, kcal/mol:	-61.3
Dipole, Da:	3.95
IP(EA), eV:	-9.94(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCNC(=O)C1=CC(=NC(=C1)Cl)CCC

DOS

IR

Vibrations