Geometry & MOs

Info

ID:	55607
PubChem CID:	17395652
Reduced:	N3O4C20H23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	351.140533
ΔH_f, kcal/mol:	-131.32
Dipole, Da:	1.3
IP(EA), eV:	-8.76(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=C(N=CC=C2)N3CCCC3

DOS

IR

Vibrations