Geometry & MOs

Info

ID:	1075
PubChem CID:	3756
Reduced:	ClON3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	235.05124
ΔH_f, kcal/mol:	17.92
Dipole, Da:	5.06
IP(EA), eV:	-8.56(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-amino-9-chloro-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one

Drug info:

PubChemData

Smile

CN1C=C2CCN=C3C2=C1C(=O)C(=C3Cl)N

DOS

IR

Vibrations