Geometry & MOs

Info

ID:	210575
PubChem CID:	80824470
Reduced:	SN6C11H14 (1)
Stoich.:	AB6C11D14 (1)
Weight, g/mol:	293.115571
ΔH_f, kcal/mol:	70.61
Dipole, Da:	3.49
IP(EA), eV:	-8.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-N-[(5-methylpyrazin-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)CNC2=NC(=NC(=C2)N)SC

DOS

IR

Vibrations