Geometry & MOs

Info

ID:	261921
PubChem CID:	103259188
Reduced:	ClNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	283.097521
ΔH_f, kcal/mol:	-86.76
Dipole, Da:	5.4
IP(EA), eV:	-9.72(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]oxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations