Geometry & MOs

Info

ID:	193958
PubChem CID:	78459802
Reduced:	NO4C25H31 (1)
Stoich.:	AB4C25D31 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-166.71
Dipole, Da:	6.08
IP(EA), eV:	-8.62(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-benzylidene-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-1-benzofuran-3-one

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)C

DOS

IR

Vibrations