Geometry & MOs

Info

ID:	52967
PubChem CID:	14709307
Reduced:	BrNOC14H16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	214.123189
ΔH_f, kcal/mol:	-11.93
Dipole, Da:	5.33
IP(EA), eV:	-8.18(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-methylphenyl)-2-pyridin-1-ium-1-ylethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations