Geometry & MOs

Info

ID:	292364
PubChem CID:	114917519
Reduced:	O3N5C13H15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	313.978046
ΔH_f, kcal/mol:	-53.06
Dipole, Da:	6.09
IP(EA), eV:	-9.55(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-[(3-chlorophenyl)methyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(C(=O)O)NC(=O)C2=NC(=NN2)N

DOS

IR

Vibrations