Geometry & MOs

Info

ID:	408287
PubChem CID:	135081051
Reduced:	NF3O3C8H12 (1)
Stoich.:	AB3C3D8E12 (1)
Weight, g/mol:	175.099714
ΔH_f, kcal/mol:	-314.36
Dipole, Da:	4.02
IP(EA), eV:	-10.34(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-hydroxy-2-methyl-3-(3-methylphenyl)propanenitrile

Drug info:

PubChemData

Smile

C[C@H](CC(=O)OCC(F)(F)F)NC(=O)C

DOS

IR

Vibrations