Geometry & MOs

Info

ID:	371957
PubChem CID:	131282585
Reduced:	O2N3C9H11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	218.069142
ΔH_f, kcal/mol:	-17.64
Dipole, Da:	7.05
IP(EA), eV:	-9.12(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-4-oxo-6,7,8,9-tetrahydroquinolizine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=CN=C(O2)C#N)O

DOS

IR

Vibrations