Geometry & MOs

Info

ID:	221495
PubChem CID:	85273780
Reduced:	NO2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	311.126991
ΔH_f, kcal/mol:	-75.4
Dipole, Da:	1.55
IP(EA), eV:	-8.71(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3,4-dimethoxyanilino)ethenyl]-1-methyl-2-oxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CCC2C(C1)C=C3N(C2=O)C4CC(CCC4O3)C5=CC=CC=C5

DOS

IR

Vibrations