Geometry & MOs

Info

ID:	24317
PubChem CID:	609278
Reduced:	N2O2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	204.089878
ΔH_f, kcal/mol:	-42.93
Dipole, Da:	6.31
IP(EA), eV:	-9.62(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,8-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CN2CCN1C3=CC=CC(=C32)C(=O)O

DOS

IR

Vibrations