Geometry & MOs

Info

ID:	407995
PubChem CID:	135080750
Reduced:	NO5C7H11 (1)
Stoich.:	AB5C7D11 (1)
Weight, g/mol:	229.071448
ΔH_f, kcal/mol:	-187.91
Dipole, Da:	0.38
IP(EA), eV:	-8.92(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)phenyl]propanenitrile

Drug info:

PubChemData

Smile

CCONC(C(C)C(=O)[O-])C(=O)[O-]

DOS

IR

Vibrations