Geometry & MOs

Info

ID:	168655
PubChem CID:	74999222
Reduced:	N2O12C37H68 (1)
Stoich.:	A2B12C37D68 (1)
Weight, g/mol:	367.106925
ΔH_f, kcal/mol:	-583.29
Dipole, Da:	1.96
IP(EA), eV:	-8.85(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(acridin-9-ylamino)phenyl]-1,2,4-triazole-3,5-dione

Drug info:

PubChemData

Smile

CCC1C(C(C(C(=NO)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)C

DOS

IR

Vibrations