Geometry & MOs

Info

ID:	435051
PubChem CID:	135178892
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	316.216221
ΔH_f, kcal/mol:	-68.91
Dipole, Da:	9.04
IP(EA), eV:	-8.88(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,4R)-2-(3,3-dimethylbutylcarbamoyl)-4-fluoropyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)CN1C=C(C2=C1C=CC(=C2)C3=CN=C(N=C3)C)C(=O)N

DOS

IR

Vibrations