Geometry & MOs

Info

ID:	365852
PubChem CID:	127318808
Reduced:	SN2O3C18H32 (1)
Stoich.:	AB2C3D18E32 (1)
Weight, g/mol:	389.267842
ΔH_f, kcal/mol:	-169.57
Dipole, Da:	9.52
IP(EA), eV:	-8.88(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCN1CC2CCCN(C2)C(=O)CC3CCS(=O)(=O)C3

DOS

IR

Vibrations