Geometry & MOs

Info

ID:	52964
PubChem CID:	14709302
Reduced:	BrNOC14H16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	214.123189
ΔH_f, kcal/mol:	-16.88
Dipole, Da:	4.82
IP(EA), eV:	-8.35(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations