Geometry & MOs

Info

ID:	360647
PubChem CID:	127301292
Reduced:	SN3O3C14H19 (1)
Stoich.:	AB3C3D14E19 (1)
Weight, g/mol:	329.137556
ΔH_f, kcal/mol:	-101.19
Dipole, Da:	4.26
IP(EA), eV:	-9.15(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=CC(=O)N12)CNC3(CCOCC3)CO

DOS

IR

Vibrations