Geometry & MOs

Info

ID:	13371
PubChem CID:	227751
Reduced:	SN5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	275.120467
ΔH_f, kcal/mol:	59.46
Dipole, Da:	3.43
IP(EA), eV:	-8.38(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(4-butylsulfanylphenyl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCCCSC1=CC=C(C=C1)NC2=NC=NC(=N2)N

DOS

IR

Vibrations