Geometry & MOs

Info

ID:	357502
PubChem CID:	127294135
Reduced:	N4O4C21H24 (1)
Stoich.:	A4B4C21D24 (1)
Weight, g/mol:	387.215806
ΔH_f, kcal/mol:	-119.26
Dipole, Da:	6.09
IP(EA), eV:	-8.41(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN2C=C(N=C2C1)CNC(=O)C3CCN(C3=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations