Geometry & MOs

Info

ID:	255516
PubChem CID:	103132663
Reduced:	O5C14H18 (1)
Stoich.:	A5B14C18 (1)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-199.0
Dipole, Da:	6.83
IP(EA), eV:	-9.44(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=CC(=C2)OC)C(=O)O

DOS

IR

Vibrations