Geometry & MOs

Info

ID:	277394
PubChem CID:	103828249
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	315.065318
ΔH_f, kcal/mol:	-176.89
Dipole, Da:	3.29
IP(EA), eV:	-9.44(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC(C1=CC=CC=C1)C(=O)OC

DOS

IR

Vibrations