Geometry & MOs

Info

ID:	324220
PubChem CID:	126677173
Reduced:	ON7H21C22 (1)
Stoich.:	AB7C21D22 (1)
Weight, g/mol:	311.153286
ΔH_f, kcal/mol:	130.11
Dipole, Da:	4.04
IP(EA), eV:	-8.26(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(4-fluorophenoxy)-2-(hydroxymethyl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=CC=C2CN3C=C(C=N3)CC4=CC(=NC5=C4NNN5)N

DOS

IR

Vibrations