Geometry & MOs

Info

ID:	21418
PubChem CID:	588168
Reduced:	O2N3H13C14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	255.100777
ΔH_f, kcal/mol:	-11.76
Dipole, Da:	3.39
IP(EA), eV:	-9.32(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-methyl-10,12,14-triazatetracyclo[7.5.2.02,7.010,14]hexadeca-2,4,6,15-tetraene-11,13-dione

Drug info:

PubChemData

Smile

CN1C(=O)N2C3CC4=CC=CC=C4C(N2C1=O)C=C3

DOS

IR

Vibrations