Geometry & MOs

Info

ID:	372246
PubChem CID:	131294657
Reduced:	ClN2F3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	243.031869
ΔH_f, kcal/mol:	-117.2
Dipole, Da:	4.79
IP(EA), eV:	-10.0(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-(difluoromethoxy)-3-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)C(CN)C#N)Cl

DOS

IR

Vibrations