Geometry & MOs

Info

ID:	323571
PubChem CID:	126675497
Reduced:	ClN6C16H19 (1)
Stoich.:	AB6C16D19 (1)
Weight, g/mol:	284.138559
ΔH_f, kcal/mol:	67.93
Dipole, Da:	1.01
IP(EA), eV:	-8.27(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(Z)-3-amino-2-[(2,6-diaminopyridin-4-yl)methyl]prop-2-enylidene]amino]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN=C/C(=C\N)/CC2=CC(=NC(=C2N)N)N)Cl

DOS

IR

Vibrations