Geometry & MOs

Info

ID:	344630
PubChem CID:	127268215
Reduced:	OSN6C14H18 (1)
Stoich.:	ABC6D14E18 (1)
Weight, g/mol:	394.24811
ΔH_f, kcal/mol:	50.98
Dipole, Da:	6.2
IP(EA), eV:	-8.93(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-(4-pyridazin-3-ylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)CN2CCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations