Geometry & MOs

Info

ID:	403384
PubChem CID:	135059958
Reduced:	ON2H20C26 (1)
Stoich.:	AB2C20D26 (1)
Weight, g/mol:	348.147393
ΔH_f, kcal/mol:	82.15
Dipole, Da:	3.12
IP(EA), eV:	-8.38(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2-(4-methyl-2-nitrophenyl)-4-[(4-methylphenyl)methylidene]-5-oxohexanenitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC3=C(C=C2)NC4=NC=CC(=C34)/C=C/C5=CC=CC=C5

DOS

IR

Vibrations