Geometry & MOs

Info

ID:	192625
PubChem CID:	78292813
Reduced:	ON2H6C8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	353.12498
ΔH_f, kcal/mol:	80.89
Dipole, Da:	2.55
IP(EA), eV:	-8.91(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8,10,12-trimethyl-4-(4-methylphenyl)-3-oxa-5,8,12-triaza-10-azoniatricyclo[7.4.0.02,6]trideca-2(6),4,9-triene-7,11,13-trione

Drug info:

PubChemData

Smile

COC1=CC=CC2=C(C(C(=O)N=C21)C3=CC=CC=C3)N=[N+]=[N-]

DOS

IR

Vibrations