Geometry & MOs

Info

ID:	354332
PubChem CID:	127286458
Reduced:	ClN3O3C18H24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	393.181919
ΔH_f, kcal/mol:	-89.09
Dipole, Da:	2.33
IP(EA), eV:	-8.74(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2CCN(CC2)C(=O)NCCC3=CC4=C(C(=C3)Cl)OCCO4

DOS

IR

Vibrations