Geometry & MOs

Info

ID:	261909
PubChem CID:	103258567
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	267.163457
ΔH_f, kcal/mol:	-101.28
Dipole, Da:	4.52
IP(EA), eV:	-8.53(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]hexanoate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)OC)NC/C=C(/C)\C(=O)O

DOS

IR

Vibrations