Geometry & MOs

Info

ID:	403348
PubChem CID:	135059828
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	368.09277
ΔH_f, kcal/mol:	-42.73
Dipole, Da:	2.46
IP(EA), eV:	-8.43(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=CC2=C(N=C1)N(C3=CC=CC=C32)C

DOS

IR

Vibrations