Geometry & MOs

Info

ID:	425165
PubChem CID:	135125392
Reduced:	BrFNO3C18H23 (1)
Stoich.:	ABCD3E18F23 (1)
Weight, g/mol:	404.173607
ΔH_f, kcal/mol:	-194.53
Dipole, Da:	4.3
IP(EA), eV:	-9.08(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-quinolin-7-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2(CCC3=C(O2)C=CC(=C3F)Br)CC1

DOS

IR

Vibrations