Geometry & MOs

Info

ID:	370362
PubChem CID:	127338225
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-104.48
Dipole, Da:	2.72
IP(EA), eV:	-9.17(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,6-dimethylquinoline-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCC12CC2C(=O)O)C(=O)CC3=COC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations