Geometry & MOs

Info

ID:	260704
PubChem CID:	103200530
Reduced:	N3O3H11C14 (1)
Stoich.:	A3B3C11D14 (1)
Weight, g/mol:	218.080376
ΔH_f, kcal/mol:	-17.43
Dipole, Da:	10.31
IP(EA), eV:	-9.46(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-5-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CN3C(=CC(=N3)C(=O)O)N=C2

DOS

IR

Vibrations