Geometry & MOs

Info

ID:	182233
PubChem CID:	76861933
Reduced:	SN3O3C23H27 (1)
Stoich.:	AB3C3D23E27 (1)
Weight, g/mol:	434.220557
ΔH_f, kcal/mol:	-29.97
Dipole, Da:	2.89
IP(EA), eV:	-8.79(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1-[4-(4-methylbenzoyl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)S(=O)(=O)NC4CC4

DOS

IR

Vibrations