Geometry & MOs

Info

ID:	331129
PubChem CID:	127248536
Reduced:	FSN3O4C22H24 (1)
Stoich.:	ABC3D4E22F24 (1)
Weight, g/mol:	411.176976
ΔH_f, kcal/mol:	-110.26
Dipole, Da:	7.99
IP(EA), eV:	-9.17(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-methyl-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)S(=O)(=O)C3=CC=CC=C3)CCOC4=CC=CC=C4F

DOS

IR

Vibrations