Geometry & MOs

Info

ID:	393074
PubChem CID:	135019244
Reduced:	O4C29H30 (1)
Stoich.:	A4B29C30 (1)
Weight, g/mol:	215.131014
ΔH_f, kcal/mol:	-124.36
Dipole, Da:	3.09
IP(EA), eV:	-8.86(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2,3,3-trimethyl-5-oxo-2-phenylpentanenitrile

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(CC2=C1)(C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)CC

DOS

IR

Vibrations