Geometry & MOs

Info

ID:	379923
PubChem CID:	134964335
Reduced:	NO5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	-128.26
Dipole, Da:	4.71
IP(EA), eV:	-10.02(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-ethyl-4-oxo-2-phenylpentanenitrile

Drug info:

PubChemData

Smile

COC(=O)CCC([C@H](C1=CC=CC=C1)O)[N+](=O)[O-]

DOS

IR

Vibrations