Geometry & MOs

Info

ID:	356025
PubChem CID:	127291054
Reduced:	O3N4C18H32 (1)
Stoich.:	A3B4C18D32 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-160.99
Dipole, Da:	5.42
IP(EA), eV:	-9.17(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-N-(oxan-3-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN2CCN(CC2)C(=O)NC3CCCOC3

DOS

IR

Vibrations