Geometry & MOs

Info

ID:	287442
PubChem CID:	104242375
Reduced:	BrClFC14H17 (1)
Stoich.:	ABCD14E17 (1)
Weight, g/mol:	238.112443
ΔH_f, kcal/mol:	-67.9
Dipole, Da:	2.76
IP(EA), eV:	-9.92(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-3-cyclopentylpropyl)phenol

Drug info:

PubChemData

Smile

C1CCC(C1)C(CCC2=CC(=CC(=C2)Br)F)Cl

DOS

IR

Vibrations