Geometry & MOs

Info

ID:	261460
PubChem CID:	103234908
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	287.01571
ΔH_f, kcal/mol:	-97.79
Dipole, Da:	2.27
IP(EA), eV:	-7.93(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromophenyl)methylamino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CC/C(=C/CNC1=CC=C(C=C1)OC)/C(=O)OC

DOS

IR

Vibrations