Geometry & MOs

Info

ID:	389370
PubChem CID:	134992579
Reduced:	BrPO4C12H18 (1)
Stoich.:	ABC4D12E18 (1)
Weight, g/mol:	302.01676
ΔH_f, kcal/mol:	-230.88
Dipole, Da:	4.69
IP(EA), eV:	-9.53(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-iodo-1-phenylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)OC[C@H](C1=CC=CC=C1)Br

DOS

IR

Vibrations