Geometry & MOs

Info

ID:	48149
PubChem CID:	10537510
Reduced:	OCl3C8H13 (1)
Stoich.:	AB3C8D13 (1)
Weight, g/mol:	232.073559
ΔH_f, kcal/mol:	-98.06
Dipole, Da:	2.55
IP(EA), eV:	-10.78(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-ylmethyl)-6-methoxybenzoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C(C(Cl)(Cl)Cl)O

DOS

IR

Vibrations