Geometry & MOs

Info

ID:	174118
PubChem CID:	75725970
Reduced:	ClN3O3C25H26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	477.181919
ΔH_f, kcal/mol:	-62.89
Dipole, Da:	5.26
IP(EA), eV:	-8.77(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C(C1=CC=C(C=C1)OC)N(C2=CC(=CC=C2)Cl)C(=O)C3=CN=CC=C3

DOS

IR

Vibrations