Geometry & MOs

Info

ID:	332591
PubChem CID:	127250877
Reduced:	ON3C12H14 (2)
Stoich.:	AB3C12D14 (2)
Weight, g/mol:	437.21147
ΔH_f, kcal/mol:	43.19
Dipole, Da:	3.26
IP(EA), eV:	-8.78(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenyl)-1-[2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C=NN12)CN3CCOC(C3)C4=NNC(=C4)CCOC5=CC=CC=C5)C

DOS

IR

Vibrations