Geometry & MOs

Info

ID:	198689
PubChem CID:	79137219
Reduced:	FNO2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-82.43
Dipole, Da:	3.2
IP(EA), eV:	-9.83(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-methyl-3-(2,4,5-trimethoxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

C1CC2C(CC1O2)(C#N)C(C3=CC=C(C=C3)F)O

DOS

IR

Vibrations