Geometry & MOs

Info

ID:	337185
PubChem CID:	127256750
Reduced:	ClNC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	328.038148
ΔH_f, kcal/mol:	45.53
Dipole, Da:	2.23
IP(EA), eV:	-9.27(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(pyridin-1-ium-1-ylmethoxymethyl)pyridin-1-ium-3,4-dicarbaldehyde;dichloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C2=CC(C(C=C2)(N)N)(Cl)Cl

DOS

IR

Vibrations