Geometry & MOs

Info

ID:	375625
PubChem CID:	134214151
Reduced:	NF2O2C7H11 (1)
Stoich.:	AB2C2D7E11 (1)
Weight, g/mol:	269.123878
ΔH_f, kcal/mol:	-199.86
Dipole, Da:	4.99
IP(EA), eV:	-10.15(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4R)-3-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1[C@H](NC(=O)[C@@]1(CF)F)CCO

DOS

IR

Vibrations