Geometry & MOs

Info

ID:	206284
PubChem CID:	80225597
Reduced:	BrNS2O4H12C13 (1)
Stoich.:	ABC2D4E12F13 (1)
Weight, g/mol:	293.221561
ΔH_f, kcal/mol:	-112.68
Dipole, Da:	5.02
IP(EA), eV:	-9.21(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-1,3,3-trimethylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)Br)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations