Geometry & MOs

Info

ID:	55661
PubChem CID:	17395751
Reduced:	SN7C16H21 (1)
Stoich.:	AB7C16D21 (1)
Weight, g/mol:	366.121572
ΔH_f, kcal/mol:	106.05
Dipole, Da:	2.72
IP(EA), eV:	-8.44(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=NC=NN2)C)C3=NN=C(SC3)NC4CCCC4

DOS

IR

Vibrations