Geometry & MOs

Info

ID:	71417
PubChem CID:	48414831
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-10.76
Dipole, Da:	6.35
IP(EA), eV:	-8.87(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-phenoxypropan-1-one

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations