Geometry & MOs

Info

ID:	331135
PubChem CID:	127248542
Reduced:	O2F3N3C21H26 (1)
Stoich.:	A2B3C3D21E26 (1)
Weight, g/mol:	438.173705
ΔH_f, kcal/mol:	-166.33
Dipole, Da:	5.09
IP(EA), eV:	-8.79(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(4-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-pyrrolidin-1-ylsulfonylmorpholine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CC3CC3)CCOC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations