Geometry & MOs

Info

ID:	407928
PubChem CID:	135080683
Reduced:	NO5C7H11 (1)
Stoich.:	AB5C7D11 (1)
Weight, g/mol:	191.094629
ΔH_f, kcal/mol:	-216.67
Dipole, Da:	1.28
IP(EA), eV:	-8.67(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-hydroxy-3-(3-methoxyphenyl)-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C(C(=O)[O-])NCCO)C(=O)[O-]

DOS

IR

Vibrations