Geometry & MOs

Info

ID:	345409
PubChem CID:	127269709
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	291.169525
ΔH_f, kcal/mol:	-127.48
Dipole, Da:	8.38
IP(EA), eV:	-9.22(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxolan-2-ylmethyl)-4-pyridazin-3-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCCN(C1CCCN(C1)CC2=CC=CC=C2)C(=O)NC3CCS(=O)(=O)C3

DOS

IR

Vibrations