Geometry & MOs

Info

ID:	357413
PubChem CID:	127294046
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-15.4
Dipole, Da:	4.43
IP(EA), eV:	-9.01(-0.53)
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-4-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC(CC2)NC(=O)CN3C4=CC=CC=C4C=N3

DOS

IR

Vibrations