Geometry & MOs

Info

ID:	333648
PubChem CID:	127252200
Reduced:	FO2N4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	432.17731
ΔH_f, kcal/mol:	-28.55
Dipole, Da:	3.55
IP(EA), eV:	-8.82(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CN=CC=C2)C3=NNC(=C3)CCOC4=CC=CC=C4F

DOS

IR

Vibrations