Geometry & MOs

Info

ID:	40395
PubChem CID:	8144039
Reduced:	OSN6C19H22 (1)
Stoich.:	ABC6D19E22 (1)
Weight, g/mol:	343.177016
ΔH_f, kcal/mol:	103.58
Dipole, Da:	1.94
IP(EA), eV:	-8.36(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(diethylamino)-2-oxoethyl]-methyl-[(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=S)N(N=N2)CN3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations