Geometry & MOs

Info

ID:	133820
PubChem CID:	51594682
Reduced:	ClO2N4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	381.20727
ΔH_f, kcal/mol:	-36.07
Dipole, Da:	2.19
IP(EA), eV:	-8.72(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(1-ethylpyrazol-4-yl)methyl]-4-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-ium

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)CN2CCC[C@H](C2)N3C4=C(C=CC(=C4)Cl)OC3=O)C

DOS

IR

Vibrations