Geometry & MOs

Info

ID:	333635
PubChem CID:	127252187
Reduced:	OF3N3H22C23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	432.17731
ΔH_f, kcal/mol:	-117.89
Dipole, Da:	3.42
IP(EA), eV:	-9.1(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(pyridin-4-ylmethyl)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC=NC=C2)C3=CC=CC(=N3)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations