Geometry & MOs

Info

ID:	337380
PubChem CID:	127257065
Reduced:	FN2O3H21C23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	291.125929
ΔH_f, kcal/mol:	-100.64
Dipole, Da:	2.73
IP(EA), eV:	-9.41(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)ethyl quinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1[C@H](NCC1C2=CC=C(C=C2)F)C(=O)CCOC(=O)C3=CC4=CC=CC=C4N=C3

DOS

IR

Vibrations