Geometry & MOs

Info

ID:	216497
PubChem CID:	85086318
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	244.144987
ΔH_f, kcal/mol:	7.31
Dipole, Da:	3.96
IP(EA), eV:	-8.77(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

10,11-diaza-1-azoniatetracyclo[8.6.1.03,8.013,17]heptadeca-3,5,7-trien-12-one

Drug info:

PubChemData

Smile

C1CC2C3N(C1)CC4=CC=CC=C4CN3NC2=O

DOS

IR

Vibrations