Geometry & MOs

Info

ID:	71507
PubChem CID:	48414974
Reduced:	OSN2C19H20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	330.113506
ΔH_f, kcal/mol:	63.45
Dipole, Da:	3.27
IP(EA), eV:	-8.81(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=C(C=CS2)C3=CC=CC=C3

DOS

IR

Vibrations