Geometry & MOs

Info

ID:	246868
PubChem CID:	103065241
Reduced:	SN4C11H18 (1)
Stoich.:	AB4C11D18 (1)
Weight, g/mol:	291.126615
ΔH_f, kcal/mol:	16.58
Dipole, Da:	4.64
IP(EA), eV:	-8.59(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-ethyl-6-pyrazol-1-yl-2-N-(thiolan-3-yl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC=N1)NC2CCSC2

DOS

IR

Vibrations