Geometry & MOs

Info

ID:	28409
PubChem CID:	827426
Reduced:	SN5H13C14 (1)
Stoich.:	AB5C13D14 (1)
Weight, g/mol:	251.057388
ΔH_f, kcal/mol:	117.48
Dipole, Da:	3.93
IP(EA), eV:	-9.02(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-chloro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=S)NCN2C3=CC=CC=C3N=N2

DOS

IR

Vibrations