Geometry & MOs

Info

ID:	28498
PubChem CID:	827979
Reduced:	BrClNO2H5C7 (1)
Stoich.:	ABCD2E5F7 (1)
Weight, g/mol:	335.126991
ΔH_f, kcal/mol:	-70.5
Dipole, Da:	2.52
IP(EA), eV:	-9.19(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-aminophenyl)-2-hydroxy-4-oxo-1-prop-2-enylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(=O)O)N)Cl)Br

DOS

IR

Vibrations