Geometry & MOs

Info

ID:	322576
PubChem CID:	126670557
Reduced:	O3N4C16H16 (1)
Stoich.:	A3B4C16D16 (1)
Weight, g/mol:	219.127072
ΔH_f, kcal/mol:	-43.62
Dipole, Da:	1.48
IP(EA), eV:	-9.32(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (2S,3S,4S)-4-fluoro-3-methoxypyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(C)O)CC(=O)O

DOS

IR

Vibrations