Geometry & MOs

Info

ID:	284985
PubChem CID:	104088220
Reduced:	OSN5C14H25 (1)
Stoich.:	ABC5D14E25 (1)
Weight, g/mol:	283.146681
ΔH_f, kcal/mol:	-34.44
Dipole, Da:	5.36
IP(EA), eV:	-8.99(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=N1)SC(C)CO)N2CCCCC2

DOS

IR

Vibrations