Geometry & MOs

Info

ID:	312747
PubChem CID:	126607742
Reduced:	NOSC23H27 (1)
Stoich.:	ABCD23E27 (1)
Weight, g/mol:	519.334859
ΔH_f, kcal/mol:	-3.91
Dipole, Da:	3.99
IP(EA), eV:	-8.06(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,3,4,4-tetramethyl-5-[3-(4-methylphenyl)-2-oxo-1-propan-2-ylquinolin-6-yl]oxypentyl] 2-methylbutanoate

Drug info:

PubChemData

Smile

CCC(C)(C)OC1=CC=C(C=C1)C2=CC3=CC=CC=C3N(C2=S)C(C)C

DOS

IR

Vibrations