Geometry & MOs

Info

ID:	333665
PubChem CID:	127252217
Reduced:	OF3N3H22C23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	446.192961
ΔH_f, kcal/mol:	-120.57
Dipole, Da:	4.28
IP(EA), eV:	-8.88(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC=CC=N2)C3=NC=C(C=C3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations