Geometry & MOs

Info

ID:	71327
PubChem CID:	48414628
Reduced:	SN4O4C19H28 (1)
Stoich.:	AB4C4D19E28 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-82.03
Dipole, Da:	2.81
IP(EA), eV:	-8.74(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(furan-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations