Geometry & MOs

Info

ID:	302887
PubChem CID:	124398032
Reduced:	ON2C15H16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	252.126263
ΔH_f, kcal/mol:	14.57
Dipole, Da:	3.09
IP(EA), eV:	-8.74(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-3-oxo-1-phenylbutyl]-2-prop-2-enylpropanedinitrile

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)[C@@H]2CCN3C2=CC=C3

DOS

IR

Vibrations