Geometry & MOs

Info

ID:	433194
PubChem CID:	135173331
Reduced:	NSO3C15H15 (1)
Stoich.:	ABC3D15E15 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-57.91
Dipole, Da:	4.02
IP(EA), eV:	-8.78(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-aminocyclopent-2-en-1-yl)methoxy]-2-(1,3-dihydroisoindol-2-ylmethyl)pyran-4-one

Drug info:

PubChemData

Smile

CSC1=CC2=C(CN(C2)CC3=CC(=O)C(=CO3)O)C=C1

DOS

IR

Vibrations