Geometry & MOs

Info

ID:	142547
PubChem CID:	53054394
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	344.115237
ΔH_f, kcal/mol:	-43.04
Dipole, Da:	2.8
IP(EA), eV:	-9.07(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NS(=O)(=O)C2=CC=C(C=C2)C3=C(ON=C3C)C)C

DOS

IR

Vibrations