Geometry & MOs

Info

ID:	129645
PubChem CID:	51073439
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	335.140055
ΔH_f, kcal/mol:	-25.7
Dipole, Da:	4.9
IP(EA), eV:	-8.77(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1N(CC2=CC=CC=N2)C(=O)/C=C/C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations