Geometry & MOs

Info

ID:	390701
PubChem CID:	135000413
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	430.154702
ΔH_f, kcal/mol:	56.93
Dipole, Da:	4.8
IP(EA), eV:	-9.82(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dipropyl 2-[(1R)-1-(4-chlorophenyl)-3-oxo-3-phenylpropyl]propanedioate

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(=O)C[C@@H](C)C(CC2=CC=CC=C2)(C#N)C#N)C

DOS

IR

Vibrations