Geometry & MOs

Info

ID:	244002
PubChem CID:	99309221
Reduced:	N3O3C22H35 (1)
Stoich.:	A3B3C22D35 (1)
Weight, g/mol:	389.267842
ΔH_f, kcal/mol:	-164.0
Dipole, Da:	6.04
IP(EA), eV:	-8.58(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aS)-2-[2-[(3R)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1CCN(CC1)C[C@@H]2CCCN(C2)C(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O

DOS

IR

Vibrations