Geometry & MOs

Info

ID:	173793
PubChem CID:	75683666
Reduced:	N3O5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	280.108602
ΔH_f, kcal/mol:	-102.6
Dipole, Da:	2.33
IP(EA), eV:	-8.57(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-methyl-8-(4-methylphenyl)-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3,6,9-tetraen-10-olate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C=CC(=O)OCC(=O)NC2=C(C(=C(N2CC3=CC=CO3)C)C)C#N

DOS

IR

Vibrations