Geometry & MOs

Info

ID:	211040
PubChem CID:	80888048
Reduced:	SN6C13H20 (1)
Stoich.:	AB6C13D20 (1)
Weight, g/mol:	227.120467
ΔH_f, kcal/mol:	74.14
Dipole, Da:	3.05
IP(EA), eV:	-9.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butan-2-ylsulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=N1)SC(C)CC)N2C=CC=N2

DOS

IR

Vibrations