Geometry & MOs

Info

ID:	373560
PubChem CID:	131317130
Reduced:	FON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	230.013913
ΔH_f, kcal/mol:	-52.47
Dipole, Da:	3.09
IP(EA), eV:	-9.94(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethoxy)-3-hydroxy-5-nitrobenzonitrile

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2C(C1)(CO)N)F)C#N

DOS

IR

Vibrations