Geometry & MOs

Info

ID:	342863
PubChem CID:	127266026
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	386.02998
ΔH_f, kcal/mol:	-49.44
Dipole, Da:	4.43
IP(EA), eV:	-8.53(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(4-bromophenyl)sulfonylethyl]piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C=CC(=O)N1CCN(CC1)CCOC2=CC3=C(CCC3)C=C2

DOS

IR

Vibrations