Geometry & MOs

Info

ID:	357403
PubChem CID:	127294036
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-36.64
Dipole, Da:	3.64
IP(EA), eV:	-9.0(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-pyridin-3-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=NOC=N4

DOS

IR

Vibrations