Geometry & MOs

Info

ID:	372250
PubChem CID:	131294698
Reduced:	FON3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	-12.02
Dipole, Da:	4.79
IP(EA), eV:	-9.2(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]propanenitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)NC1=NC2=C(O1)C=CC(=C2)F

DOS

IR

Vibrations