Geometry & MOs

Info

ID:	411224
PubChem CID:	135084037
Reduced:	BrPO2F12H20C22 (1)
Stoich.:	ABC2D12E20F22 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-686.24
Dipole, Da:	10.85
IP(EA), eV:	-9.3(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-3-(3-hydroxy-3-methylbutyl)-4-methoxy-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1C(P23(C1(C)C)C(=C(C(O2)(C(F)(F)F)C(F)(F)F)C4=CC=C(C=C4)Br)C(O3)(C(F)(F)F)C(F)(F)F)(C)C

DOS

IR

Vibrations