Geometry & MOs

Info

ID:	402344
PubChem CID:	135055592
Reduced:	NO4C13H21 (1)
Stoich.:	AB4C13D21 (1)
Weight, g/mol:	293.105193
ΔH_f, kcal/mol:	-206.65
Dipole, Da:	4.36
IP(EA), eV:	-9.07(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1-methyl-2-oxoquinolin-4-yl)benzoate

Drug info:

PubChemData

Smile

C[C@@H]1CC(=C(N1C(=O)OC(C)(C)C)C)C(=O)OC

DOS

IR

Vibrations