Geometry & MOs

Info

ID:	372849
PubChem CID:	131305978
Reduced:	BrOSF2H9C11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	245.078283
ΔH_f, kcal/mol:	-110.19
Dipole, Da:	3.31
IP(EA), eV:	-8.94(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-(2-chloro-3,6-difluorophenyl)-cyclopentylmethanamine

Drug info:

PubChemData

Smile

COC1=CC2=C(S1)C(=CC(=C2)CBr)C(F)F

DOS

IR

Vibrations