Geometry & MOs

Info

ID:	206081
PubChem CID:	80200286
Reduced:	BrClFOSH11C14 (1)
Stoich.:	ABCDEF11G14 (1)
Weight, g/mol:	297.12957
ΔH_f, kcal/mol:	-52.64
Dipole, Da:	1.59
IP(EA), eV:	-8.89(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-2-fluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)SCC(C2=C(C=C(C=C2)Cl)F)O

DOS

IR

Vibrations