Geometry & MOs

Info

ID:	246866
PubChem CID:	103065214
Reduced:	SN6C9H16 (1)
Stoich.:	AB6C9D16 (1)
Weight, g/mol:	224.109568
ΔH_f, kcal/mol:	38.56
Dipole, Da:	1.19
IP(EA), eV:	-8.66(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC(=N1)NC2CCSC2)N

DOS

IR

Vibrations