Geometry & MOs

Info

ID:	357972
PubChem CID:	127295486
Reduced:	SO2N4C14H20 (1)
Stoich.:	AB2C4D14E20 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-32.58
Dipole, Da:	3.97
IP(EA), eV:	-9.28(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[methyl(oxan-3-ylmethyl)amino]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=O)N2C(=N1)SC(=N2)CN(C)CC3CCCOC3

DOS

IR

Vibrations