Geometry & MOs

Info

ID:	331124
PubChem CID:	127248531
Reduced:	F3N3O3C22H28 (1)
Stoich.:	A3B3C3D22E28 (1)
Weight, g/mol:	409.167142
ΔH_f, kcal/mol:	-247.25
Dipole, Da:	1.78
IP(EA), eV:	-9.21(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylsulfonyl-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations