Geometry & MOs

Info

ID:	330615
PubChem CID:	127248022
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-122.39
Dipole, Da:	5.28
IP(EA), eV:	-8.89(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)N2CCC(C2)(CN3CCCC3)O

DOS

IR

Vibrations