Geometry & MOs

Info

ID:	337462
PubChem CID:	127257147
Reduced:	ON5H17C18 (1)
Stoich.:	AB5C17D18 (1)
Weight, g/mol:	259.193614
ΔH_f, kcal/mol:	58.59
Dipole, Da:	8.04
IP(EA), eV:	-8.24(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3-dimethyl-1H-pyridin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H]2[C@@H](NC3=C(N2)C(=O)N=C(N3)N)C4=CC=CC=C4

DOS

IR

Vibrations