Geometry & MOs

Info

ID:	70315
PubChem CID:	48413174
Reduced:	SN3O4C15H19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	330.091725
ΔH_f, kcal/mol:	-6.34
Dipole, Da:	4.89
IP(EA), eV:	-8.94(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperazine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations