Geometry & MOs

Info

ID:	167214
PubChem CID:	74793598
Reduced:	ClN3O3C26H36 (1)
Stoich.:	AB3C3D26E36 (1)
Weight, g/mol:	385.249118
ΔH_f, kcal/mol:	9.2
Dipole, Da:	3.37
IP(EA), eV:	-4.21(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[4-[1-(2-phenylethyl)pyrrolidin-1-ium-3-yl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)CCC2C[NH+](CCC2[NH+]3CCOCC3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations