Geometry & MOs

Info

ID:	350903
PubChem CID:	127279191
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-118.72
Dipole, Da:	4.24
IP(EA), eV:	-9.0(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide

Drug info:

PubChemData

Smile

C1CC(N(C1)CC(=O)NC(=O)NC2CC2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations