Geometry & MOs

Info

ID:	246876
PubChem CID:	103065270
Reduced:	SN6C13H22 (1)
Stoich.:	AB6C13D22 (1)
Weight, g/mol:	252.140868
ΔH_f, kcal/mol:	26.34
Dipole, Da:	2.41
IP(EA), eV:	-8.6(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N,5-diethyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)N2CCCC2)NC3CCSC3

DOS

IR

Vibrations