Geometry & MOs

Info

ID:	386332
PubChem CID:	134981423
Reduced:	BrOC13H23 (1)
Stoich.:	ABC13D23 (1)
Weight, g/mol:	244.182715
ΔH_f, kcal/mol:	-97.24
Dipole, Da:	2.63
IP(EA), eV:	-9.67(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-4-cyclohexyl-2-phenylcyclopentan-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]2[C@@](O1)(CC[C@@H](C2(C)C)Br)C

DOS

IR

Vibrations