Geometry & MOs

Info

ID:	71384
PubChem CID:	48414749
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	330.113506
ΔH_f, kcal/mol:	25.29
Dipole, Da:	6.63
IP(EA), eV:	-8.79(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations