Geometry & MOs

Info

ID:	246867
PubChem CID:	103065240
Reduced:	SN4C10H16 (1)
Stoich.:	AB4C10D16 (1)
Weight, g/mol:	238.125218
ΔH_f, kcal/mol:	20.94
Dipole, Da:	4.55
IP(EA), eV:	-8.6(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=CC(=NC=N1)NC2CCSC2

DOS

IR

Vibrations