Geometry & MOs

Info

ID:	130460
PubChem CID:	51090898
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-50.62
Dipole, Da:	3.74
IP(EA), eV:	-8.23(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=C2)C(=O)NCCCCN3CCN(CC3)C

DOS

IR

Vibrations