Geometry & MOs

Info

ID:	64710
PubChem CID:	29203890
Reduced:	SN2O4C19H32 (1)
Stoich.:	AB2C4D19E32 (1)
Weight, g/mol:	406.21689
ΔH_f, kcal/mol:	-194.36
Dipole, Da:	7.74
IP(EA), eV:	-9.52(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC(C)C)C(=O)NCCCOC(C)C

DOS

IR

Vibrations