Geometry & MOs

Info

ID:	17097
PubChem CID:	484169
Reduced:	ClNO2F3H17C19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	383.089991
ΔH_f, kcal/mol:	-140.38
Dipole, Da:	2.91
IP(EA), eV:	-9.16(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1CO[C@H]2C(=O)NC3=C([C@@]2(C#CC4CC4)C(F)(F)F)C=C(C=C3)Cl

DOS

IR

Vibrations