Geometry & MOs

Info

ID:	285176
PubChem CID:	104098481
Reduced:	ClN6C11H13 (1)
Stoich.:	AB6C11D13 (1)
Weight, g/mol:	239.068621
ΔH_f, kcal/mol:	106.31
Dipole, Da:	1.42
IP(EA), eV:	-9.76(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NC(=CC(=N2)Cl)NCCN3C=CN=N3

DOS

IR

Vibrations