Geometry & MOs

Info

ID:	45400
PubChem CID:	10512763
Reduced:	NOC14H15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	178.10927
ΔH_f, kcal/mol:	-3.92
Dipole, Da:	3.87
IP(EA), eV:	-9.1(0.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-3-ium-2-amine

Drug info:

PubChemData

Smile

C1CN(C2(CCC3=CC=CC=C32)C=C1)C=O

DOS

IR

Vibrations