Geometry & MOs

Info

ID:	349554
PubChem CID:	127275441
Reduced:	N2O5C21H22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	-137.67
Dipole, Da:	2.93
IP(EA), eV:	-8.58(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C4=C5C(=CC=C4)OCCO5

DOS

IR

Vibrations