Geometry & MOs

Info

ID:	348941
PubChem CID:	127274666
Reduced:	FSO2N3C15H16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	239.098
ΔH_f, kcal/mol:	-72.56
Dipole, Da:	4.1
IP(EA), eV:	-8.81(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethyl-1-methylsulfonyl-3,4-dihydro-2H-quinoline

Drug info:

PubChemData

Smile

CC1=NC=C(N1)S(=O)(=O)N2CC3(CCC3)C4=C2C=CC=C4F

DOS

IR

Vibrations