Geometry & MOs

Info

ID:	32577
PubChem CID:	7846020
Reduced:	ClFNO4H17C18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	397.167794
ΔH_f, kcal/mol:	-183.29
Dipole, Da:	2.76
IP(EA), eV:	-9.13(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenoxy)ethyl 3-methyl-2-phenylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC(=O)O[C@H](C)C(=O)NC2=CC=CC=C2F)Cl

DOS

IR

Vibrations