Geometry & MOs

Info

ID:	357533
PubChem CID:	127294178
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	-28.84
Dipole, Da:	1.36
IP(EA), eV:	-8.93(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylpyrrolidin-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)CCC3=CC4=CC=CC=C4O3

DOS

IR

Vibrations