Geometry & MOs

Info

ID:	308839
PubChem CID:	126522871
Reduced:	OSN5H17C24 (1)
Stoich.:	ABC5D17E24 (1)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	172.06
Dipole, Da:	5.75
IP(EA), eV:	-8.5(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,8,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,14-tetraene-12-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=CC=NC5=N4)C6=CSC=C6

DOS

IR

Vibrations