Geometry & MOs

Info

ID:	307670
PubChem CID:	125307966
Reduced:	O2F3N4H13C18 (1)
Stoich.:	A2B3C4D13E18 (1)
Weight, g/mol:	176.058578
ΔH_f, kcal/mol:	-75.02
Dipole, Da:	5.08
IP(EA), eV:	-9.42(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-3H-cinnolin-4-one

Drug info:

PubChemData

Smile

C1C(=C(N=N1)C2=CC=CC=C2)[C@H]3N=C(NO3)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations