Geometry & MOs

Info

ID:	157353
PubChem CID:	56423113
Reduced:	N2O3C24H30 (1)
Stoich.:	A2B3C24D30 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-94.67
Dipole, Da:	6.19
IP(EA), eV:	-9.03(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2OCCO2)CC(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations