Geometry & MOs

Info

ID:	25749
PubChem CID:	630124
Reduced:	NO3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-91.69
Dipole, Da:	2.67
IP(EA), eV:	-8.2(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2=NOC)CCC4=CC(=C(C=C34)OC)O

DOS

IR

Vibrations