Geometry & MOs

Info

ID:	342864
PubChem CID:	127266027
Reduced:	BrSN2O3C15H19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	-74.93
Dipole, Da:	2.55
IP(EA), eV:	-8.98(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-ethyl-4-(2-pyrazol-1-ylethyl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C=CC(=O)N1CCN(CC1)CCS(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations