Geometry & MOs

Info

ID:	370385
PubChem CID:	127338414
Reduced:	NOC5H5 (4)
Stoich.:	ABC5D5 (4)
Weight, g/mol:	346.152872
ΔH_f, kcal/mol:	-124.6
Dipole, Da:	1.77
IP(EA), eV:	-8.39(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-(oxolan-3-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=O)N(C(=O)N2C)C)C(=O)NC3=CC4=C(C=C3)OCCC4

DOS

IR

Vibrations