Geometry & MOs

Info

ID:	238723
PubChem CID:	92765205
Reduced:	ClO2N3C28H28 (1)
Stoich.:	AB2C3D28E28 (1)
Weight, g/mol:	426.205576
ΔH_f, kcal/mol:	11.94
Dipole, Da:	5.12
IP(EA), eV:	-8.47(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(S)-(4-methylpiperazin-1-yl)-pyridin-3-ylmethyl]-1-benzofuran-3-yl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations