Geometry & MOs

Info

ID:	390373
PubChem CID:	134998768
Reduced:	N3H15C16 (1)
Stoich.:	A3B15C16 (1)
Weight, g/mol:	249.126598
ΔH_f, kcal/mol:	119.54
Dipole, Da:	4.37
IP(EA), eV:	-9.27(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=NC(=N1)C#CC2=CC=CC3=C2CCCC3

DOS

IR

Vibrations