Geometry & MOs

Info

ID:	208290
PubChem CID:	80514671
Reduced:	ON4C15H16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	231.083019
ΔH_f, kcal/mol:	52.12
Dipole, Da:	3.03
IP(EA), eV:	-8.68(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methylphenyl)sulfanylpyridazin-4-yl]methanamine

Drug info:

PubChemData

Smile

CCC1=C(N=NC(=C1C#N)OC2=CC=CC(=C2)N)CC

DOS

IR

Vibrations