Geometry & MOs

Info

ID:	397857
PubChem CID:	135030848
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	341.235479
ΔH_f, kcal/mol:	-57.71
Dipole, Da:	2.65
IP(EA), eV:	-9.75(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-4-(2-methylquinolin-4-yl)undecanoate

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CC(=O)OC(=N1)C2=CC=CC=C2

DOS

IR

Vibrations