Geometry & MOs

Info

ID:

27358

PubChem CID:

820906

Reduced:

ClNH11C13 (1)

Stoich.:

ABC11D13 (1)

Weight, g/mol:

200.107539

ΔHf, kcal/mol:

64.82

Dipole, Da:

2.04

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.057462

Charge, e:

 1

Chem-info

IUPAC name:

(1S)-1-phenyl-2-pyridin-1-ium-1-ylethanol

Drug info:

PubChemData

Smile

C=C(C1=CC=CC=C1Cl)[N+]2=CC=CC=C2

DOS

IR

Vibrations