Geometry & MOs

Info

ID:	14261
PubChem CID:	407311
Reduced:	NOC13H14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	200.107539
ΔH_f, kcal/mol:	10.89
Dipole, Da:	1.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.950340
Charge, e:	1

Chem-info

IUPAC name:

1-phenyl-2-pyridin-1-ium-1-ylethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations