Geometry & MOs

Info

ID:	364401
PubChem CID:	127315578
Reduced:	ON6C18H30 (1)
Stoich.:	AB6C18D30 (1)
Weight, g/mol:	347.220892
ΔH_f, kcal/mol:	-4.93
Dipole, Da:	5.28
IP(EA), eV:	-8.2(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(C)CNC(=O)C2=NN=C(C=C2)N3CCCC3

DOS

IR

Vibrations