Geometry & MOs

Info

ID:	238721
PubChem CID:	92765196
Reduced:	N3O3C29H31 (1)
Stoich.:	A3B3C29D31 (1)
Weight, g/mol:	473.187005
ΔH_f, kcal/mol:	-21.64
Dipole, Da:	4.46
IP(EA), eV:	-8.11(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(S)-(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)[C@@H](C2=CC=C(C=C2)OC)C3=C(C4=CC=CC=C4O3)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations