Geometry & MOs

Info

ID:	357489
PubChem CID:	127294122
Reduced:	N4O4C21H24 (1)
Stoich.:	A4B4C21D24 (1)
Weight, g/mol:	396.179755
ΔH_f, kcal/mol:	-113.23
Dipole, Da:	2.62
IP(EA), eV:	-8.35(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC=CN2)C(=O)C3CCN(C3=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations