Geometry & MOs

Info

ID:	186821
PubChem CID:	77490913
Reduced:	SO2N4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	174.079313
ΔH_f, kcal/mol:	-19.84
Dipole, Da:	3.59
IP(EA), eV:	-8.71(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diazatricyclo[6.2.2.02,7]dodeca-2,4,7-trien-6-one

Drug info:

PubChemData

Smile

C1CN(CCC1C2=C(OC=N2)C3=CC=CC=C3)C4CC(NC4)C(=O)N5CCSC5

DOS

IR

Vibrations