Geometry & MOs

Info

ID:	25750
PubChem CID:	630414
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-127.49
Dipole, Da:	2.69
IP(EA), eV:	-8.47(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)CN3CCN(CC3)C

DOS

IR

Vibrations