Geometry & MOs

Info

ID:	372698
PubChem CID:	131302733
Reduced:	ClNO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	265.96909
ΔH_f, kcal/mol:	-31.92
Dipole, Da:	2.73
IP(EA), eV:	-8.76(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-bromocinnoline-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)OCC2=CC=C(O2)N

DOS

IR

Vibrations