Geometry & MOs

Info

ID:	444382
PubChem CID:	135262233
Reduced:	O3F4C5H6 (1)
Stoich.:	A3B4C5D6 (1)
Weight, g/mol:	323.05209
ΔH_f, kcal/mol:	-328.22
Dipole, Da:	1.45
IP(EA), eV:	-11.03(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-bromoquinolin-6-yl)oxyhexan-2-ol

Drug info:

PubChemData

Smile

C(C(=CC(F)F)F)F.C(=O)(O)O

DOS

IR

Vibrations