Geometry & MOs

Info

ID:	13677
PubChem CID:	396860
Reduced:	O3N5H19C21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	389.148789
ΔH_f, kcal/mol:	34.42
Dipole, Da:	4.39
IP(EA), eV:	-9.16(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CC=NC=C3

DOS

IR

Vibrations