Geometry & MOs

Info

ID:	156407
PubChem CID:	56370492
Reduced:	ClN2O2C20H31 (1)
Stoich.:	AB2C2D20E31 (1)
Weight, g/mol:	443.278407
ΔH_f, kcal/mol:	-84.53
Dipole, Da:	2.11
IP(EA), eV:	-8.73(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1CCN2CCOCC2)CCCOC3=CC(=CC=C3)Cl

DOS

IR

Vibrations