Geometry & MOs

Info

ID:	210717
PubChem CID:	80845251
Reduced:	SN3O3C14H17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	306.12628
ΔH_f, kcal/mol:	-11.78
Dipole, Da:	5.74
IP(EA), eV:	-8.86(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCNC1=C(C(=CC=C1)OCCC2=C(N=CS2)C)[N+](=O)[O-]

DOS

IR

Vibrations