Geometry & MOs

Info

ID:	150282
PubChem CID:	53789970
Reduced:	N3O7C28H35 (1)
Stoich.:	A3B7C28D35 (1)
Weight, g/mol:	400.118985
ΔH_f, kcal/mol:	-293.6
Dipole, Da:	3.07
IP(EA), eV:	-9.14(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[(3-hydroxy-1-benzofuran-6-yl)oxy]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCC(=O)NCC(C(=O)OC1=CC2=C(CCC2)C=C1)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations