Geometry & MOs

Info

ID:	357762
PubChem CID:	127294541
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	387.215806
ΔH_f, kcal/mol:	-150.28
Dipole, Da:	2.15
IP(EA), eV:	-8.44(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)ethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCC1CNC(=O)C2CCN(C2=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations