Geometry & MOs

Info

ID:	288038
PubChem CID:	104309409
Reduced:	ClNO2F3C6H9 (1)
Stoich.:	ABC2D3E6F9 (1)
Weight, g/mol:	235.097521
ΔH_f, kcal/mol:	-261.2
Dipole, Da:	4.66
IP(EA), eV:	-10.48(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-[methyl(oxan-4-ylmethyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CN(CC(C(=O)O)Cl)CC(F)(F)F

DOS

IR

Vibrations