Geometry & MOs

Info

ID:	430012
PubChem CID:	135170069
Reduced:	OC13H20 (1)
Stoich.:	AB13C20 (1)
Weight, g/mol:	278.188195
ΔH_f, kcal/mol:	-58.65
Dipole, Da:	0.84
IP(EA), eV:	-8.87(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxy-2,3,5-trimethylphenyl) 2-ethyl-4-methylpentanoate

Drug info:

PubChemData

Smile

CCC(CC(C)C)C1=CC=CC=C1O

DOS

IR

Vibrations