Geometry & MOs

Info

ID:	60269
PubChem CID:	26676054
Reduced:	NO3C8H9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	318.121572
ΔH_f, kcal/mol:	-138.08
Dipole, Da:	7.22
IP(EA), eV:	-8.38(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxyphenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)NC(=O)COC2=CC=CC=[N+]2[O-]

DOS

IR

Vibrations