Geometry & MOs

Info

ID:	370428
PubChem CID:	127338648
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	377.231456
ΔH_f, kcal/mol:	-100.16
Dipole, Da:	4.01
IP(EA), eV:	-8.58(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CCN(C(C1)CN2CCOCC2)C(=O)C3=C(C4=CC=CC=C4C=C3)O

DOS

IR

Vibrations