Geometry & MOs

Info

ID:	261891
PubChem CID:	103257215
Reduced:	ClNO3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	303.102606
ΔH_f, kcal/mol:	-85.52
Dipole, Da:	2.72
IP(EA), eV:	-9.46(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Cl)NC(C)C2=CC=C(O2)C(=O)OC

DOS

IR

Vibrations