Geometry & MOs

Info

ID:	163460
PubChem CID:	57986174
Reduced:	N2F3O3C19H25 (1)
Stoich.:	A2B3C3D19E25 (1)
Weight, g/mol:	542.203942
ΔH_f, kcal/mol:	-303.88
Dipole, Da:	2.93
IP(EA), eV:	-9.29(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-[(5-fluoro-2-methylanilino)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]-3-methoxyphenyl] thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)CC2=CC=C(C=C2)NC(=O)C(F)(F)F

DOS

IR

Vibrations