Geometry & MOs

Info

ID:	337981
PubChem CID:	127258604
Reduced:	ClO3C22H27 (1)
Stoich.:	AB3C22D27 (1)
Weight, g/mol:	306.219495
ΔH_f, kcal/mol:	-131.16
Dipole, Da:	2.88
IP(EA), eV:	-8.7(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-butan-2-ylphenoxy)pentan-2-yl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC(C)C(C)(C)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations