Geometry & MOs

Info

ID:	209193
PubChem CID:	80637524
Reduced:	ISN3C13H20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	363.02662
ΔH_f, kcal/mol:	19.67
Dipole, Da:	4.22
IP(EA), eV:	-8.51(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-N-methyl-6-propyl-2-(thiolan-2-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=C(C(=NC(=N1)C2CCCCS2)NC)I

DOS

IR

Vibrations