Geometry & MOs

Info

ID:	39977
PubChem CID:	8143332
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	19.58
Dipole, Da:	7.48
IP(EA), eV:	-9.04(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2CCN(CC2)CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

DOS

IR

Vibrations