Geometry & MOs

Info

ID:	320673
PubChem CID:	126662437
Reduced:	ClNSF2O5C29H30 (1)
Stoich.:	ABCD2E5F29G30 (1)
Weight, g/mol:	241.01023
ΔH_f, kcal/mol:	-249.41
Dipole, Da:	5.78
IP(EA), eV:	-8.57(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2-methyl-1,2,3,4-tetrahydroquinolin-3-ol

Drug info:

PubChemData

Smile

C/C(=C\C1=CC2=C(C=C1)O[C@H](CN2S(=O)(=O)C3=CC(=C(C=C3)F)OC)CCC(C)(C)O)/C4=C(C=CC=C4Cl)F

DOS

IR

Vibrations