Geometry & MOs

Info

ID:	285168
PubChem CID:	104098452
Reduced:	ClN6C8H9 (1)
Stoich.:	AB6C8D9 (1)
Weight, g/mol:	219.123243
ΔH_f, kcal/mol:	96.71
Dipole, Da:	3.03
IP(EA), eV:	-9.82(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1=CN=C(N=C1NCCN2C=CN=N2)Cl

DOS

IR

Vibrations