Geometry & MOs

Info

ID:	333654
PubChem CID:	127252206
Reduced:	OF3N3C24H24 (1)
Stoich.:	AB3C3D24E24 (1)
Weight, g/mol:	446.192961
ΔH_f, kcal/mol:	-128.08
Dipole, Da:	3.61
IP(EA), eV:	-9.27(-0.36)
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-3-ylmethyl)morpholine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)CC3=CN=CC=C3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations