Geometry & MOs

Info

ID:	13679
PubChem CID:	396866
Reduced:	ClO2N5H16C20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	393.099252
ΔH_f, kcal/mol:	67.97
Dipole, Da:	5.19
IP(EA), eV:	-9.11(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-chlorophenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C=NC(=NNC(=O)C2=CC=NC=C2)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations