Geometry & MOs

Info

ID:	358486
PubChem CID:	127296082
Reduced:	ClN3O3C20H28 (1)
Stoich.:	AB3C3D20E28 (1)
Weight, g/mol:	391.22712
ΔH_f, kcal/mol:	-109.35
Dipole, Da:	5.92
IP(EA), eV:	-8.67(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCC3=CC4=C(C(=C3)Cl)OCCO4

DOS

IR

Vibrations