Geometry & MOs

Info

ID:	333725
PubChem CID:	127252277
Reduced:	N2O2F3C22H23 (1)
Stoich.:	A2B2C3D22E23 (1)
Weight, g/mol:	437.192626
ΔH_f, kcal/mol:	-194.42
Dipole, Da:	3.11
IP(EA), eV:	-9.36(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[2-[1-methyl-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations