Geometry & MOs

Info

ID:	357391
PubChem CID:	127294024
Reduced:	N2O4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	394.152872
ΔH_f, kcal/mol:	-129.1
Dipole, Da:	2.97
IP(EA), eV:	-8.51(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,4-dihydro-2H-chromen-4-yl)-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2CC1NC(=O)C3CCN(C3=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations