Geometry & MOs

Info

ID:	310129
PubChem CID:	126574980
Reduced:	ClN3O4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	431.181821
ΔH_f, kcal/mol:	-135.33
Dipole, Da:	6.5
IP(EA), eV:	-8.57(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(N-methylanilino)methyl]-N-[(E)-(3-methylphenyl)methylideneamino]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)NC(=O)NC2=C(C=CC(=C2)Cl)OC

DOS

IR

Vibrations