Geometry & MOs

Info

ID:	71754
PubChem CID:	48415328
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	8.49
Dipole, Da:	5.33
IP(EA), eV:	-8.78(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-but-3-ynylpiperazine-1-carbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3CC3

DOS

IR

Vibrations