Geometry & MOs

Info

ID:	312173
PubChem CID:	126603450
Reduced:	NF2O2C7H13 (1)
Stoich.:	AB2C2D7E13 (1)
Weight, g/mol:	229.167794
ΔH_f, kcal/mol:	-221.22
Dipole, Da:	1.74
IP(EA), eV:	-9.82(2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-4-pentan-2-ylmorpholin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

C1[C@@H](NCC1(F)F)CCC(O)O

DOS

IR

Vibrations