Geometry & MOs

Info

ID:	295067
PubChem CID:	117514641
Reduced:	BrON2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	339.064919
ΔH_f, kcal/mol:	-40.2
Dipole, Da:	3.32
IP(EA), eV:	-8.52(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(6-chloro-2,2,3,3-tetrafluoro-1,4-benzodioxin-7-yl)cyclopentyl]methanamine

Drug info:

PubChemData

Smile

C1CCC2=C(C(=C(C=C2C1)CCN3CCNCC3)O)Br

DOS

IR

Vibrations