Geometry & MOs

Info

ID:	21887
PubChem CID:	593058
Reduced:	ON3H7C11 (1)
Stoich.:	AB3C7D11 (1)
Weight, g/mol:	197.058912
ΔH_f, kcal/mol:	43.58
Dipole, Da:	5.64
IP(EA), eV:	-10.01(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyanoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=N2)C(=O)N)C#N

DOS

IR

Vibrations