Geometry & MOs

Info

ID:	364631
PubChem CID:	127315926
Reduced:	OSN3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	-12.85
Dipole, Da:	3.56
IP(EA), eV:	-8.74(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-benzofuran-3-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)N2CCCSCC2)C

DOS

IR

Vibrations