Geometry & MOs

Info

ID:	322637
PubChem CID:	126670703
Reduced:	FIC13H14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	194.086228
ΔH_f, kcal/mol:	-15.87
Dipole, Da:	3.12
IP(EA), eV:	-9.57(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-2-[(1R,3R)-3-methylcyclopentyl]benzene

Drug info:

PubChemData

Smile

C1[C@H](C2CC1C[C@@H]2I)C3=CC=CC=C3F

DOS

IR

Vibrations