Geometry & MOs

Info

ID:	121657
PubChem CID:	50776265
Reduced:	O6N7C22H25 (1)
Stoich.:	A6B7C22D25 (1)
Weight, g/mol:	483.203031
ΔH_f, kcal/mol:	-126.76
Dipole, Da:	5.39
IP(EA), eV:	-9.67(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC(=O)C2=NC(=NO2)C3=NN(C(=O)N(C3=O)C)C4=CC=C(C=C4)C

DOS

IR

Vibrations