Geometry & MOs

Info

ID:	261511
PubChem CID:	103237295
Reduced:	BrClNO2C11H13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	244.178693
ΔH_f, kcal/mol:	-82.0
Dipole, Da:	3.81
IP(EA), eV:	-8.97(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(3-morpholin-4-ylpropylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)NC1=C(C=C(C=C1)Br)Cl

DOS

IR

Vibrations