Geometry & MOs

Info

ID:	325504
PubChem CID:	126683683
Reduced:	SO5N6H28C31 (1)
Stoich.:	AB5C6D28E31 (1)
Weight, g/mol:	380.315127
ΔH_f, kcal/mol:	-12.13
Dipole, Da:	5.59
IP(EA), eV:	-8.27(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1,2,4-triazine-6-carboxylate;tetrabutylazanium

Drug info:

PubChemData

Smile

CC1=NN2C=C(N=C2N=C1)C3=CC4=C(O3)C=C(C=C4OCC5=CSC(=N5)C6=CC=C(C=C6)C(=O)N7CCCC(C7)O)OC

DOS

IR

Vibrations