Geometry & MOs

Info

ID:	391715
PubChem CID:	135008874
Reduced:	ON3H9C15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	115.64
Dipole, Da:	7.21
IP(EA), eV:	-9.03(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-dec-1-ynyl-4-oxo-1H-cinnoline-6-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C3C4=CC=CC=C4N=[N+](C3=N2)[O-]

DOS

IR

Vibrations