Geometry & MOs

Info

ID:	71714
PubChem CID:	48415249
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	62.83
Dipole, Da:	1.68
IP(EA), eV:	-9.06(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCC2=NC(=NO2)C3=CN=CC=C3

DOS

IR

Vibrations