Geometry & MOs

Info

ID:	297465
PubChem CID:	117618535
Reduced:	SN2O2C10H14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	253.107834
ΔH_f, kcal/mol:	-45.09
Dipole, Da:	5.8
IP(EA), eV:	-9.24(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-tert-butyl-6-(trifluoromethyl)quinoline

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)N2CC(C2)OC

DOS

IR

Vibrations