Geometry & MOs

Info

ID:	293894
PubChem CID:	117410661
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	-105.68
Dipole, Da:	4.25
IP(EA), eV:	-8.81(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-[3-(oxan-4-yl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2CCOCC2)CC3(CC3)O

DOS

IR

Vibrations