Geometry & MOs

Info

ID:	160984
PubChem CID:	57390438
Reduced:	Cl2N3O4H9C16 (1)
Stoich.:	A2B3C4D9E16 (1)
Weight, g/mol:	292.096026
ΔH_f, kcal/mol:	12.01
Dipole, Da:	8.67
IP(EA), eV:	-9.74(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6,7-dimethoxycinnolin-4-yl)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=N/NC(=O)C2=COC3=C2C=C(C=C3Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations