Geometry & MOs

Info

ID:	185014
PubChem CID:	77240190
Reduced:	SF2O4N8C31H36 (1)
Stoich.:	AB2C4D8E31F36 (1)
Weight, g/mol:	361.128963
ΔH_f, kcal/mol:	-151.64
Dipole, Da:	9.66
IP(EA), eV:	-8.62(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4,4,4-trifluoro-1-(2-methoxyquinolin-6-yl)butyl]phenol

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=C(C=C2)C(=O)NC3C4CN(CCC4NN3)S(=O)(=O)C5=CC(=CC(=C5)F)F)NC(=O)CC6=CC=NC=C6

DOS

IR

Vibrations