Geometry & MOs

Info

ID:	358711
PubChem CID:	127296525
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-44.79
Dipole, Da:	5.58
IP(EA), eV:	-8.66(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC3=CC=CC=C3N2)CC(=O)NC(=O)NC4CC4

DOS

IR

Vibrations