Geometry & MOs

Info

ID:	20325
PubChem CID:	583118
Reduced:	ON2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	4.01
Dipole, Da:	2.28
IP(EA), eV:	-9.16(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,8-diazatricyclo[6.3.2.02,7]trideca-2,4,6-trien-10-one

Drug info:

PubChemData

Smile

C1CN2CC(=O)CN1C3=CC=CC=C32

DOS

IR

Vibrations