Geometry & MOs

Info

ID:	144894
PubChem CID:	53429524
Reduced:	ON2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	256.015885
ΔH_f, kcal/mol:	28.64
Dipole, Da:	2.98
IP(EA), eV:	-9.75(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethoxy)-4-(trifluoromethyl)benzoic acid

Drug info:

PubChemData

Smile

CCOCCC1=NC2C=CC=CC2=N1

DOS

IR

Vibrations