Geometry & MOs

Info

ID:	411543
PubChem CID:	135084375
Reduced:	ClOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	110.060589
ΔH_f, kcal/mol:	-42.34
Dipole, Da:	3.61
IP(EA), eV:	-9.06(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-methyl-3H-pyridin-1-ium-2-one

Drug info:

PubChemData

Smile

CCCC[C@@H](/C=C/C1=CC=C(C=C1)Cl)O

DOS

IR

Vibrations