Geometry & MOs

Info

ID:	346849
PubChem CID:	127271353
Reduced:	N4O4C19H26 (1)
Stoich.:	A4B4C19D26 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-121.0
Dipole, Da:	1.51
IP(EA), eV:	-9.05(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN2CCN(CC2)C(=O)CN3C(=O)C4CCCCC4C3=O

DOS

IR

Vibrations