Geometry & MOs

Info

ID:	363748
PubChem CID:	127313386
Reduced:	O2N5C21H31 (1)
Stoich.:	A2B5C21D31 (1)
Weight, g/mol:	391.166269
ΔH_f, kcal/mol:	-57.06
Dipole, Da:	3.31
IP(EA), eV:	-8.63(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=CC=N2)C(=O)NCCN3CCN(CC3)C(=O)C4CCC4

DOS

IR

Vibrations