Geometry & MOs

Info

ID:	166543
PubChem CID:	74706183
Reduced:	FON6C30H40 (1)
Stoich.:	ABC6D30E40 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-8.54
Dipole, Da:	4.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761445
Charge, e:	0

Chem-info

IUPAC name:

3-hexyl-1-[2-(1H-imidazol-1-ium-4-yl)ethyl]-2-oxopyridin-4-olate

Drug info:

PubChemData

Smile

CC1CCC2CC(C(=O)NC2C1)C(C3=NN=NN3C(C)(C)C)[NH+](CC4=CC=CC=C4)CC5=CC=C(C=C5)F

DOS

IR

Vibrations