Geometry & MOs

Info

ID:	304315
PubChem CID:	124524936
Reduced:	N2O6C15H20 (1)
Stoich.:	A2B6C15D20 (1)
Weight, g/mol:	165.058992
ΔH_f, kcal/mol:	-257.59
Dipole, Da:	6.45
IP(EA), eV:	-9.92(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3-fluoro-4-methylphenyl)-2-hydroxyacetonitrile

Drug info:

PubChemData

Smile

C[C@@H]([C@H](C(=O)O)NC(=O)[C@H](C)NC(=O)OCC1=CC=CC=C1)O

DOS

IR

Vibrations