Geometry & MOs

Info

ID:	283196
PubChem CID:	103963727
Reduced:	BrClON2H10C15 (1)
Stoich.:	ABCD2E10F15 (1)
Weight, g/mol:	275.090606
ΔH_f, kcal/mol:	40.81
Dipole, Da:	2.57
IP(EA), eV:	-8.73(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[(3-nitroquinolin-4-yl)amino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(C=N2)N)OC3=C(C=CC(=C3)Br)Cl

DOS

IR

Vibrations