Geometry & MOs

Info

ID:	403181
PubChem CID:	135059075
Reduced:	NOC15H24 (1)
Stoich.:	ABC15D24 (1)
Weight, g/mol:	234.185789
ΔH_f, kcal/mol:	-50.29
Dipole, Da:	3.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.892969
Charge, e:	1

Chem-info

IUPAC name:

1,4-dimethyl-6-[(E)-oct-4-en-4-yl]-3H-pyridin-1-ium-2-one

Drug info:

PubChemData

Smile

CCC/C=C(\CCC)/C1=[N+](C(=O)C(C=C1)C)C

DOS

IR

Vibrations