Geometry & MOs

Info

ID:	434974
PubChem CID:	135176099
Reduced:	F2O2H12C15 (1)
Stoich.:	A2B2C12D15 (1)
Weight, g/mol:	289.091435
ΔH_f, kcal/mol:	-116.92
Dipole, Da:	3.87
IP(EA), eV:	-9.27(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-difluoro-2-hydroxy-3-(4-phenylmethoxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C=O)(F)F

DOS

IR

Vibrations