Geometry & MOs

Info

ID:	41331
PubChem CID:	8145671
Reduced:	FO3N4C15H17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	-117.68
Dipole, Da:	1.98
IP(EA), eV:	-8.81(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C(=O)C(=O)N(C1=O)CN2CCN(CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations