Geometry & MOs

Info

ID:	369091
PubChem CID:	127331250
Reduced:	OSN5C17H21 (1)
Stoich.:	ABC5D17E21 (1)
Weight, g/mol:	341.131031
ΔH_f, kcal/mol:	17.6
Dipole, Da:	4.66
IP(EA), eV:	-8.65(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-3-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)NC3CSC4=CC=CC=C34

DOS

IR

Vibrations