Geometry & MOs

Info

ID:	318016
PubChem CID:	126648363
Reduced:	FN2O4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	323.043914
ΔH_f, kcal/mol:	-201.88
Dipole, Da:	4.4
IP(EA), eV:	-9.51(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-acetyl-5,6,7,8-tetrahydroquinolin-4-yl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCCCN1C=C(C=C(C1=O)C(=O)NC)C(=O)OCC2=CC(=C(C=C2)F)C

DOS

IR

Vibrations