Geometry & MOs

Info

ID:	359346
PubChem CID:	127298395
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-86.22
Dipole, Da:	3.78
IP(EA), eV:	-8.78(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzofuran-2-yl)-1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)C3=CN=C4C=CC=CN4C3=O

DOS

IR

Vibrations