Geometry & MOs

Info

ID:	371636
PubChem CID:	131269386
Reduced:	ON3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	216.059801
ΔH_f, kcal/mol:	27.51
Dipole, Da:	3.32
IP(EA), eV:	-8.55(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethyl)-2-methoxy-5-methylbenzoic acid

Drug info:

PubChemData

Smile

CN1C(=C(C=C(C1=O)N)C2CC2)C#N

DOS

IR

Vibrations