Geometry & MOs

Info

ID:	121675
PubChem CID:	50776505
Reduced:	O4N6C17H18 (1)
Stoich.:	A4B6C17D18 (1)
Weight, g/mol:	410.170253
ΔH_f, kcal/mol:	-33.74
Dipole, Da:	6.18
IP(EA), eV:	-9.74(-1.34)
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-ethyl-2-phenyl-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=NC(=NO1)C2=NN(C(=O)N(C2=O)C)C3=CC=CC=C3

DOS

IR

Vibrations