Geometry & MOs

Info

ID:	246877
PubChem CID:	103065273
Reduced:	SN4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	210.093918
ΔH_f, kcal/mol:	11.23
Dipole, Da:	5.0
IP(EA), eV:	-8.57(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1NC2CCSC2)NCC

DOS

IR

Vibrations