Geometry & MOs

Info

ID:	363897
PubChem CID:	127313554
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	371.166748
ΔH_f, kcal/mol:	-47.49
Dipole, Da:	7.52
IP(EA), eV:	-8.98(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C)C(=O)NCCN3CCN(CC3)C(=O)C4CCC4

DOS

IR

Vibrations