Geometry & MOs

Info

ID:	172759
PubChem CID:	75548515
Reduced:	O4N6C23H24 (1)
Stoich.:	A4B6C23D24 (1)
Weight, g/mol:	425.193728
ΔH_f, kcal/mol:	-21.55
Dipole, Da:	3.07
IP(EA), eV:	-9.33(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-cycloheptyl-3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-6H-1,2,4-triazin-2-ium-6-yl]-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=O)C(NN(C1=O)C2=CC=CC=C2)C3=NOC(=N3)C(=O)NCCC4=CC=C(C=C4)C

DOS

IR

Vibrations