Geometry & MOs

Info

ID:	71485
PubChem CID:	48414944
Reduced:	ON2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	302.145285
ΔH_f, kcal/mol:	17.68
Dipole, Da:	2.84
IP(EA), eV:	-8.84(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-(2-methylphenyl)sulfanylethanone

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCN(CC1)CCC#C)C2=CC=CC=C2

DOS

IR

Vibrations