Geometry & MOs

Info

ID:	271817
PubChem CID:	103693110
Reduced:	BrClNO2C9H9 (1)
Stoich.:	ABCD2E9F9 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	-72.59
Dipole, Da:	3.96
IP(EA), eV:	-9.84(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-3-(2-methylquinolin-6-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[C@@H](CC(=O)O)N)Cl)Br

DOS

IR

Vibrations