Geometry & MOs

Info

ID:	261524
PubChem CID:	103238050
Reduced:	BrNO3C8H16 (1)
Stoich.:	ABC3D8E16 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-155.26
Dipole, Da:	3.66
IP(EA), eV:	-8.55(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-hydroxypropylamino)methyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(CO)NCC(C(=O)OC)Br

DOS

IR

Vibrations