Geometry & MOs

Info

ID:	64565
PubChem CID:	29202898
Reduced:	SF2N3O4C24H29 (1)
Stoich.:	AB2C3D4E24F29 (1)
Weight, g/mol:	496.247441
ΔH_f, kcal/mol:	-207.19
Dipole, Da:	7.11
IP(EA), eV:	-8.62(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)F)F

DOS

IR

Vibrations