Geometry & MOs

Info

ID:	389376
PubChem CID:	134992613
Reduced:	BOC13H30 (1)
Stoich.:	ABC13D30 (1)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	-133.81
Dipole, Da:	1.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754993
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-5,5-dimethyl-2-phenylhexan-3-ol

Drug info:

PubChemData

Smile

[B-](C)(C(CC)CCC)(C(CC)CCC)O

DOS

IR

Vibrations