Geometry & MOs

Info

ID:	45812
PubChem CID:	10517814
Reduced:	NO3H15C18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	293.12766
ΔH_f, kcal/mol:	-74.09
Dipole, Da:	3.78
IP(EA), eV:	-8.94(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-methoxyphenyl)-3-phenyl-5,6-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazole

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations