Geometry & MOs

Info

ID:	52515
PubChem CID:	12015400
Reduced:	OC11H16 (1)
Stoich.:	AB11C16 (1)
Weight, g/mol:	178.135765
ΔH_f, kcal/mol:	-47.87
Dipole, Da:	2.33
IP(EA), eV:	-9.23(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations