Geometry & MOs

Info

ID:

14432

PubChem CID:

411300

Reduced:

NO2H14C17 (1)

Stoich.:

AB2C14D17 (1)

Weight, g/mol:

264.102454

ΔHf, kcal/mol:

-0.34

Dipole, Da:

6.77

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.968272

Charge, e:

 1

Chem-info

IUPAC name:

1-(1-hydroxynaphthalen-2-yl)-2-pyridin-1-ium-1-ylethanone

Drug info:

PubChemData

Smile

C1=CC=[N+](C=C1)CC(=O)C2=C(C3=CC=CC=C3C=C2)O

DOS

IR

Vibrations