Geometry & MOs

Info

ID:	17098
PubChem CID:	484170
Reduced:	ClNO2F3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	371.089991
ΔH_f, kcal/mol:	-167.74
Dipole, Da:	2.47
IP(EA), eV:	-9.13(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-6-chloro-4-(2-cyclopropylethynyl)-3-propoxy-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

CCCO[C@H]1C(=O)NC2=C([C@@]1(C#CC3CC3)C(F)(F)F)C=C(C=C2)Cl

DOS

IR

Vibrations