Geometry & MOs

Info

ID:	403033
PubChem CID:	135058438
Reduced:	NOH13C16 (1)
Stoich.:	ABC13D16 (1)
Weight, g/mol:	296.201439
ΔH_f, kcal/mol:	43.14
Dipole, Da:	2.29
IP(EA), eV:	-9.02(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C/C1=NC2=C(O1)C=CC(=C2)C3=CC=CC=C3

DOS

IR

Vibrations