Geometry & MOs

Info

ID:	407930
PubChem CID:	135080685
Reduced:	NO4C10H15 (1)
Stoich.:	AB4C10D15 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-179.98
Dipole, Da:	1.3
IP(EA), eV:	-8.17(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-hydroxy-4-(4-methoxyphenyl)-2-methylbutanenitrile

Drug info:

PubChemData

Smile

CC(C(C(=O)[O-])NC1CCCC1)C(=O)[O-]

DOS

IR

Vibrations