Geometry & MOs

Info

ID:	30180
PubChem CID:	840491
Reduced:	ClSN2O2C16H17 (1)
Stoich.:	ABC2D2E16F17 (1)
Weight, g/mol:	235.95724
ΔH_f, kcal/mol:	-29.12
Dipole, Da:	5.67
IP(EA), eV:	-8.78(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-iodo-1-methylpyridin-1-ium-3-ol

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C=NNC(=O)COC2=CC(=C(C(=C2)C)Cl)C

DOS

IR

Vibrations