Geometry & MOs

Info

ID:	203353
PubChem CID:	79818131
Reduced:	F3N5H8C12 (1)
Stoich.:	A3B5C8D12 (1)
Weight, g/mol:	217.132746
ΔH_f, kcal/mol:	-51.81
Dipole, Da:	2.3
IP(EA), eV:	-9.15(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylpiperidin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)N)C2=NN=C3N2C=NC=C3

DOS

IR

Vibrations