Geometry & MOs

Info

ID:	25344
PubChem CID:	623380
Reduced:	ClNOF3H5C8 (2)
Stoich.:	ABCD3E5F8 (2)
Weight, g/mol:	272.068473
ΔH_f, kcal/mol:	-356.04
Dipole, Da:	4.66
IP(EA), eV:	-9.64(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-5-methoxybenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNC(=O)C2=C(C=CN=C2OCC(F)(F)F)C(F)(F)F)Cl)Cl

DOS

IR

Vibrations