Geometry & MOs

Info

ID:	374276
PubChem CID:	131326080
Reduced:	FOSN2C10H11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	219.064391
ΔH_f, kcal/mol:	-54.01
Dipole, Da:	2.92
IP(EA), eV:	-9.21(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-7-oxo-1H-cinnoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=CC(=C2F)C(CN)O

DOS

IR

Vibrations