Geometry & MOs

Info

ID:	207692
PubChem CID:	80439114
Reduced:	ISN3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	371.02947
ΔH_f, kcal/mol:	60.64
Dipole, Da:	2.16
IP(EA), eV:	-8.96(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)CC1=C(C(=NC(=N1)C2=CSC=C2)N)I

DOS

IR

Vibrations