Geometry & MOs

Info

ID:	390372
PubChem CID:	134998762
Reduced:	O2N3C14H15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	249.126598
ΔH_f, kcal/mol:	-6.16
Dipole, Da:	2.85
IP(EA), eV:	-9.83(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yl)ethynyl]-1,2,4-triazine

Drug info:

PubChemData

Smile

CCCC1=C(N=NC(=N1)C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations