Geometry & MOs

Info

ID:	236895
PubChem CID:	92715517
Reduced:	N6O6C17H20 (1)
Stoich.:	A6B6C17D20 (1)
Weight, g/mol:	390.128782
ΔH_f, kcal/mol:	-151.86
Dipole, Da:	0.68
IP(EA), eV:	-8.44(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(2S)-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

CCOC1=C(C=C(C=C1)[C@@H]2N(N=C(O2)CNC3=NNC(=O)NC3=O)C(=O)C)OC

DOS

IR

Vibrations