Geometry & MOs

Info

ID:	73807
PubChem CID:	48420492
Reduced:	N2O3H18C21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	306.100442
ΔH_f, kcal/mol:	-50.94
Dipole, Da:	6.16
IP(EA), eV:	-9.39(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 1-oxidopyridin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations