Geometry & MOs

Info

ID:	332436
PubChem CID:	127250722
Reduced:	F3N3O3C18H20 (1)
Stoich.:	A3B3C3D18E20 (1)
Weight, g/mol:	383.145676
ΔH_f, kcal/mol:	-229.43
Dipole, Da:	4.29
IP(EA), eV:	-9.34(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCOC(C1)C2=NNC(=C2)CCOC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations