Geometry & MOs

Info

ID:	331131
PubChem CID:	127248538
Reduced:	F3N3O3C22H28 (1)
Stoich.:	A3B3C3D22E28 (1)
Weight, g/mol:	427.171891
ΔH_f, kcal/mol:	-245.52
Dipole, Da:	2.5
IP(EA), eV:	-9.14(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations