Geometry & MOs

Info

ID:	347560
PubChem CID:	127272415
Reduced:	N3O3C20H33 (1)
Stoich.:	A3B3C20D33 (1)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	-181.4
Dipole, Da:	4.96
IP(EA), eV:	-9.06(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)N(C)CC4CCCO4

DOS

IR

Vibrations