Geometry & MOs

Info

ID:	52963
PubChem CID:	14709301
Reduced:	OSN3H21C23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	293.04153
ΔH_f, kcal/mol:	63.54
Dipole, Da:	5.43
IP(EA), eV:	-8.71(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN=C(SC1)N(C2=CC=CC=C2)C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations