Geometry & MOs

Info

ID:	64727
PubChem CID:	29203916
Reduced:	FN2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	470.211804
ΔH_f, kcal/mol:	-139.9
Dipole, Da:	5.9
IP(EA), eV:	-8.79(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OCCO2)C(=O)N3CCN(CC3)C4=CC=CC=C4F

DOS

IR

Vibrations