Geometry & MOs

Info

ID:	79144
PubChem CID:	49747092
Reduced:	O4N6C19H20 (1)
Stoich.:	A4B6C19D20 (1)
Weight, g/mol:	396.154603
ΔH_f, kcal/mol:	2.57
Dipole, Da:	2.83
IP(EA), eV:	-8.3(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethoxyphenyl)-2-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)CN2CC(C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations