Geometry & MOs

Info

ID:	122164
PubChem CID:	50796545
Reduced:	FS2N3O5H14C16 (1)
Stoich.:	AB2C3D5E14F16 (1)
Weight, g/mol:	441.252861
ΔH_f, kcal/mol:	-190.17
Dipole, Da:	9.62
IP(EA), eV:	-8.95(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-butoxyphenyl)-4-[4-(2-methylphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine

Drug info:

PubChemData

Smile

CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)S(=O)(=O)CC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations