Geometry & MOs

Info

ID:	79098
PubChem CID:	49746779
Reduced:	O2N6H16C19 (1)
Stoich.:	A2B6C16D19 (1)
Weight, g/mol:	407.159354
ΔH_f, kcal/mol:	106.13
Dipole, Da:	4.29
IP(EA), eV:	-8.45(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1C(CN1C(=O)CN2C=CC3=CC=CC=C32)C4=NC(=NO4)C5=NC=CN=C5

DOS

IR

Vibrations