Geometry & MOs

Info

ID:	182120
PubChem CID:	76848056
Reduced:	ClO2N3H6C8 (1)
Stoich.:	AB2C3D6E8 (1)
Weight, g/mol:	184.063663
ΔH_f, kcal/mol:	-20.71
Dipole, Da:	4.48
IP(EA), eV:	-9.74(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-oxo-3H-quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=NC(=C2C(=C1)NC=N2)Cl

DOS

IR

Vibrations