Geometry & MOs

Info

ID:	52516
PubChem CID:	12015401
Reduced:	OC12H18 (1)
Stoich.:	AB12C18 (1)
Weight, g/mol:	182.110693
ΔH_f, kcal/mol:	-57.9
Dipole, Da:	1.99
IP(EA), eV:	-9.01(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-(4-fluorophenyl)pentan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](C)C[C@H](C)O

DOS

IR

Vibrations