Geometry & MOs

Info

ID:

52965

PubChem CID:

14709303

Reduced:

NOC14H16 (1)

Stoich.:

ABC14D16 (1)

Weight, g/mol:

293.04153

ΔHf, kcal/mol:

2.12

Dipole, Da:

3.22

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.972159

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-methylpyridin-1-ium-1-yl)-1-phenylethanol;bromide

Drug info:

PubChemData

Smile

CC1=CC=CC=[N+]1CC(C2=CC=CC=C2)O

DOS

IR

Vibrations