Geometry & MOs

Info

ID:

52968

PubChem CID:

14709309

Reduced:

NOC14H16 (1)

Stoich.:

ABC14D16 (1)

Weight, g/mol:

293.04153

ΔHf, kcal/mol:

1.71

Dipole, Da:

2.17

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.951901

Charge, e:

 0

Chem-info

IUPAC name:

1-(4-methylphenyl)-2-pyridin-1-ium-1-ylethanol;bromide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C[N+]2=CC=CC=C2)O

DOS

IR

Vibrations