Geometry & MOs

Info

ID:	349549
PubChem CID:	127275436
Reduced:	SN3O3C19H21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-38.81
Dipole, Da:	3.82
IP(EA), eV:	-8.67(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)NC2=NC(=CS2)C3CC3)C4=C5C(=CC=C4)OCCO5

DOS

IR

Vibrations