Geometry & MOs

Info

ID:	172260
PubChem CID:	75486633
Reduced:	BClFNO4C17H18 (1)
Stoich.:	ABCDE4F17G18 (1)
Weight, g/mol:	387.102036
ΔH_f, kcal/mol:	-256.48
Dipole, Da:	3.92
IP(EA), eV:	-9.45(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-8-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)-1H-quinolin-4-one

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C3C(=C(C=C2)F)C(=CC(=N3)C(=O)OC)Cl

DOS

IR

Vibrations