Geometry & MOs

Info

ID:	366395
PubChem CID:	127319876
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-109.64
Dipole, Da:	7.3
IP(EA), eV:	-9.38(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)-N-pyridin-4-ylacetamide

Drug info:

PubChemData

Smile

C1CC(OC1)CN(C2=CC=NC=C2)C(=O)C3CCOCC3

DOS

IR

Vibrations