Geometry & MOs

Info

ID:	71631
PubChem CID:	48415137
Reduced:	ON2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	386.130028
ΔH_f, kcal/mol:	-15.06
Dipole, Da:	3.42
IP(EA), eV:	-8.82(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(benzenesulfonylmethyl)furan-2-yl]-(4-but-3-ynylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations