Geometry & MOs

Info

ID:	238719
PubChem CID:	92765168
Reduced:	O3N4C25H34 (1)
Stoich.:	A3B4C25D34 (1)
Weight, g/mol:	431.166748
ΔH_f, kcal/mol:	-82.94
Dipole, Da:	5.61
IP(EA), eV:	-8.28(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(S)-(4-methylpiperazin-1-yl)-phenylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC[C@H](C2)NC(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations