Geometry & MOs

Info

ID:	312165
PubChem CID:	126603433
Reduced:	NF2O2C11H19 (1)
Stoich.:	AB2C2D11E19 (1)
Weight, g/mol:	179.075785
ΔH_f, kcal/mol:	-225.98
Dipole, Da:	3.11
IP(EA), eV:	-9.32(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-ethyl-4,4-difluoropyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)N1CC(C[C@@H]1CCC(=O)O)(F)F

DOS

IR

Vibrations