Geometry & MOs

Info

ID:	283197
PubChem CID:	103963781
Reduced:	N3O4C13H13 (1)
Stoich.:	A3B4C13D13 (1)
Weight, g/mol:	289.106256
ΔH_f, kcal/mol:	-52.12
Dipole, Da:	2.03
IP(EA), eV:	-9.87(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C(=O)O)NC1=C(C=NC2=CC=CC=C21)[N+](=O)[O-]

DOS

IR

Vibrations