Geometry & MOs

Info

ID:	13521
PubChem CID:	240464
Reduced:	O5C14H18 (1)
Stoich.:	A5B14C18 (1)
Weight, g/mol:	266.115424
ΔH_f, kcal/mol:	-205.68
Dipole, Da:	4.77
IP(EA), eV:	-8.8(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-acetyloxy-3-methoxyphenyl)pentanoic acid

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)CCCCC(=O)O)OC

DOS

IR

Vibrations