Geometry & MOs

Info

ID:	263517
PubChem CID:	103374862
Reduced:	OSN4H12C14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	385.03996
ΔH_f, kcal/mol:	72.04
Dipole, Da:	2.85
IP(EA), eV:	-8.5(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-2-(6-methoxypyridazin-3-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

COC1=NN=C(C=C1)C2=NC(=CS2)C3=CC(=CC=C3)N

DOS

IR

Vibrations