Geometry & MOs

Info

ID:	71570
PubChem CID:	48415058
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-66.8
Dipole, Da:	7.27
IP(EA), eV:	-8.56(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-phenoxyethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations