Geometry & MOs

Info

ID:	332435
PubChem CID:	127250721
Reduced:	O2F3N3C19H24 (1)
Stoich.:	A2B3C3D19E24 (1)
Weight, g/mol:	383.145676
ΔH_f, kcal/mol:	-191.07
Dipole, Da:	4.01
IP(EA), eV:	-8.57(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CCOC(C1)C2=NNC(=C2)CCOC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations