Geometry & MOs

Info

ID:	122905
PubChem CID:	50826225
Reduced:	O2F3N4C26H27 (1)
Stoich.:	A2B3C4D26E27 (1)
Weight, g/mol:	402.132805
ΔH_f, kcal/mol:	-185.88
Dipole, Da:	4.42
IP(EA), eV:	-9.05(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(CCN(C2)CC3=CC=CC=C3)C(=O)N1CC(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations