Geometry & MOs

Info

ID:	299224
PubChem CID:	117682202
Reduced:	NO3C25H49 (1)
Stoich.:	AB3C25D49 (1)
Weight, g/mol:	180.11503
ΔH_f, kcal/mol:	-223.92
Dipole, Da:	5.0
IP(EA), eV:	-9.93(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-1-hydroxy-2-methylpropyl]-4-methylphenol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCC)O

DOS

IR

Vibrations