Geometry & MOs

Info

ID:	285186
PubChem CID:	104098517
Reduced:	F3N5H10C12 (1)
Stoich.:	A3B5C10D12 (1)
Weight, g/mol:	254.068287
ΔH_f, kcal/mol:	-48.48
Dipole, Da:	4.93
IP(EA), eV:	-9.56(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methoxy-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)C#N)NCCN2C=CN=N2

DOS

IR

Vibrations