Geometry & MOs

Info

ID:	79143
PubChem CID:	49747088
Reduced:	ON2C6H6 (3)
Stoich.:	AB2C6D6 (3)
Weight, g/mol:	396.154603
ΔH_f, kcal/mol:	40.48
Dipole, Da:	1.97
IP(EA), eV:	-8.34(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-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)NC(=O)CN2CC(C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations