Geometry & MOs

Info

ID:	50895
PubChem CID:	12013486
Reduced:	ON2H8C11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	224.094963
ΔH_f, kcal/mol:	17.43
Dipole, Da:	1.27
IP(EA), eV:	-9.14(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,7,9(16),10,12-pentaen-15-one

Drug info:

PubChemData

Smile

CC1=CC2=C3C(=N1)C=CC=C3NC2=O

DOS

IR

Vibrations