Geometry & MOs

Info

ID:	121676
PubChem CID:	50776526
Reduced:	O2N3C10H11 (2)
Stoich.:	A2B3C10D11 (2)
Weight, g/mol:	396.154603
ΔH_f, kcal/mol:	-33.33
Dipole, Da:	6.49
IP(EA), eV:	-9.68(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-4-methyl-2-phenyl-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CCN1C(=O)C(=NN(C1=O)C2=CC=CC=C2)C3=NOC(=N3)C(=O)N4CCCCCC4

DOS

IR

Vibrations