Geometry & MOs

Info

ID:	318475
PubChem CID:	126651473
Reduced:	ClNO3C19H22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	347.128821
ΔH_f, kcal/mol:	-93.38
Dipole, Da:	5.62
IP(EA), eV:	-9.56(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-[(2R)-2-chloro-3-phenylmethoxypropyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CC(COCC2=CC=CC=C2)Cl)CC(=O)O

DOS

IR

Vibrations