Geometry & MOs

Info

ID:	130459
PubChem CID:	51090896
Reduced:	N3O3C18H29 (1)
Stoich.:	A3B3C18D29 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-180.48
Dipole, Da:	4.39
IP(EA), eV:	-9.65(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)NCC(=O)NCCC12CC3CC(C1)CC(C3)C2

DOS

IR

Vibrations