Geometry & MOs

Info

ID:	146732
PubChem CID:	53739622
Reduced:	NOC19H25 (1)
Stoich.:	ABC19D25 (1)
Weight, g/mol:	317.105193
ΔH_f, kcal/mol:	-28.86
Dipole, Da:	2.9
IP(EA), eV:	-9.27(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-5-phenylpent-2-en-4-ynoxy)isoindole-1,3-dione

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC=CC=C1)C(CC(CC2=CC=CC=C2)N)O

DOS

IR

Vibrations