Geometry & MOs

Info

ID:	236896
PubChem CID:	92715518
Reduced:	N3O3C8H9 (2)
Stoich.:	A3B3C8D9 (2)
Weight, g/mol:	390.128782
ΔH_f, kcal/mol:	-147.32
Dipole, Da:	2.71
IP(EA), eV:	-8.55(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(2R)-3-acetyl-2-(2,5-dimethoxyphenyl)-2H-1,3,4-oxadiazol-5-yl]methylamino]-2H-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](OC(=N1)CNC2=NNC(=O)NC2=O)C3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations