Geometry & MOs

Info

ID:	337982
PubChem CID:	127258605
Reduced:	O3C19H30 (1)
Stoich.:	A3B19C30 (1)
Weight, g/mol:	306.219495
ΔH_f, kcal/mol:	-161.77
Dipole, Da:	2.55
IP(EA), eV:	-8.67(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-butan-2-ylphenoxy)pentan-2-yl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC(C)C(CC)OC1=CC=CC=C1C(C)CC

DOS

IR

Vibrations