Geometry & MOs

Info

ID:	356616
PubChem CID:	127291842
Reduced:	SN7C17H21 (1)
Stoich.:	AB7C17D21 (1)
Weight, g/mol:	392.151826
ΔH_f, kcal/mol:	128.18
Dipole, Da:	8.47
IP(EA), eV:	-8.7(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[2-(4-methylpyrazol-1-yl)ethyl]piperazine

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)CN3CCN(CC3)C4=NC=NC5=C4SC=C5

DOS

IR

Vibrations