Geometry & MOs

Info

ID:	129003
PubChem CID:	51066013
Reduced:	N3C7H7 (2)
Stoich.:	A3B7C7 (2)
Weight, g/mol:	336.111007
ΔH_f, kcal/mol:	132.0
Dipole, Da:	5.89
IP(EA), eV:	-8.86(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dimethoxyphenyl)-6-(5-methylfuran-2-yl)-2-oxo-1H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2C(=C(N=C3N2NC=N3)N)C#N

DOS

IR

Vibrations