Geometry & MOs

Info

ID:	402834
PubChem CID:	135057454
Reduced:	NO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	233.177964
ΔH_f, kcal/mol:	-54.53
Dipole, Da:	3.3
IP(EA), eV:	-9.6(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-6-[(E)-oct-4-en-4-yl]-1-oxidopyridin-1-ium

Drug info:

PubChemData

Smile

CCCC(C)C1=C(C=CC(=C1)C2=CC=CC=N2)C(=O)OC

DOS

IR

Vibrations