Geometry & MOs

Info

ID:	359324
PubChem CID:	127298371
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-64.54
Dipole, Da:	5.27
IP(EA), eV:	-8.76(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(7-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1C)C(=O)N2CCC(CC2)CC(=O)N3CCN(CC3)C

DOS

IR

Vibrations