Geometry & MOs

Info

ID:	246881
PubChem CID:	103065342
Reduced:	OSN5C10H17 (1)
Stoich.:	ABC5D10E17 (1)
Weight, g/mol:	306.112602
ΔH_f, kcal/mol:	-7.61
Dipole, Da:	3.68
IP(EA), eV:	-8.59(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=NC(=NC(=N1)NC2CCSC2)NC

DOS

IR

Vibrations