Geometry & MOs

Info

ID:	397466
PubChem CID:	135030251
Reduced:	OS2N3H11C16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	161.058912
ΔH_f, kcal/mol:	135.6
Dipole, Da:	7.39
IP(EA), eV:	-9.13(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-4-oxa-3,8,11-triazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraene

Drug info:

PubChemData

Smile

C1C2=C(ON=C2C3=NC=C(N31)CC4=CC=CS4)C5=CC=CS5

DOS

IR

Vibrations