Geometry & MOs

Info

ID:	355798
PubChem CID:	127290650
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	338.152495
ΔH_f, kcal/mol:	-71.98
Dipole, Da:	5.28
IP(EA), eV:	-8.76(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(1-methylimidazol-2-yl)methyl]piperazine

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations