Geometry & MOs

Info

ID:	369129
PubChem CID:	127331361
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-44.43
Dipole, Da:	7.41
IP(EA), eV:	-8.38(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1-ethylcinnolin-4-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N3CCN(CC3)CC4CCCCC4

DOS

IR

Vibrations