Geometry & MOs

Info

ID:	359612
PubChem CID:	127298886
Reduced:	ClFNO2C15H17 (1)
Stoich.:	ABCD2E15F17 (1)
Weight, g/mol:	299.072449
ΔH_f, kcal/mol:	-130.7
Dipole, Da:	4.77
IP(EA), eV:	-9.07(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(1,4-dioxan-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2N(C1)C(=O)C3CCOCC3)F)Cl

DOS

IR

Vibrations