Geometry & MOs

Info

ID:	48239
PubChem CID:	10538181
Reduced:	NO5C11H17 (1)
Stoich.:	AB5C11D17 (1)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	-232.43
Dipole, Da:	1.53
IP(EA), eV:	-10.01(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E)-3-oxo-2-(1H-quinolin-2-ylidene)butanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(=O)C[C@@H]1C(=O)OC

DOS

IR

Vibrations