Geometry & MOs

Info

ID:	288775
PubChem CID:	104325622
Reduced:	BrFNOC17H17 (1)
Stoich.:	ABCDE17F17 (1)
Weight, g/mol:	295.158372
ΔH_f, kcal/mol:	-47.02
Dipole, Da:	3.05
IP(EA), eV:	-8.16(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxy-3-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC2CCC3=C2C=CC(=C3)Br)F

DOS

IR

Vibrations