Geometry & MOs

Info

ID:	270025
PubChem CID:	103622906
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	245.061884
ΔH_f, kcal/mol:	-129.25
Dipole, Da:	2.72
IP(EA), eV:	-9.32(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[(2-chloro-4-fluorophenyl)methylamino]propanoate

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC1=CN=CN1)NC(=O)CCC2CCCC2

DOS

IR

Vibrations