Geometry & MOs

Info

ID:	213965
PubChem CID:	81065599
Reduced:	ClN2O4C11H13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	269.116427
ΔH_f, kcal/mol:	-95.07
Dipole, Da:	7.54
IP(EA), eV:	-9.59(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-cyanoquinolin-2-yl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC1=C(C=C(C=C1)[N+](=O)[O-])Cl

DOS

IR

Vibrations