Geometry & MOs

Info

ID:	357488
PubChem CID:	127294121
Reduced:	NO2C6H7 (3)
Stoich.:	AB2C6D7 (3)
Weight, g/mol:	396.179755
ΔH_f, kcal/mol:	-217.69
Dipole, Da:	1.97
IP(EA), eV:	-8.47(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(C(=O)C1C(=O)N2CCOC(C2)C(=O)N)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations