Geometry & MOs

Info

ID:	246861
PubChem CID:	103065183
Reduced:	SN4C8H12 (1)
Stoich.:	AB4C8D12 (1)
Weight, g/mol:	272.086245
ΔH_f, kcal/mol:	30.05
Dipole, Da:	2.26
IP(EA), eV:	-8.65(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-N-propyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1CSCC1NC2=NC=CC(=N2)N

DOS

IR

Vibrations