Geometry & MOs

Info

ID:	390266
PubChem CID:	134998142
Reduced:	ClO2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	342.111676
ΔH_f, kcal/mol:	-19.31
Dipole, Da:	2.84
IP(EA), eV:	-9.53(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(6-naphthalen-1-yl-1,2,4-triazin-3-yl)pyridine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=NC(=NC(=N1)CC2=CC=C(C=C2)Cl)OC

DOS

IR

Vibrations