Geometry & MOs

Info

ID:	421503
PubChem CID:	135116130
Reduced:	N2O2F3C18H19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	-201.35
Dipole, Da:	3.29
IP(EA), eV:	-8.97(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(3-imidazol-1-ylpropyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1CC2=CC(=CC=C2)OC(F)(F)F)O)CC3=CC=CC=N3

DOS

IR

Vibrations