Geometry & MOs

Info

ID:	369098
PubChem CID:	127331258
Reduced:	OSN4C17H20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	362.177647
ΔH_f, kcal/mol:	17.58
Dipole, Da:	0.98
IP(EA), eV:	-8.59(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(2,3-dihydro-1-benzothiophen-3-yl)-4-N,4-N-diethylpiperazine-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NC3CSC4=CC=CC=C34

DOS

IR

Vibrations