Geometry & MOs

Info

ID:	390371
PubChem CID:	134998750
Reduced:	ON3H11C14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	62.78
Dipole, Da:	5.11
IP(EA), eV:	-9.63(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-phenyl-5-propyl-1,2,4-triazine-6-carboxylate

Drug info:

PubChemData

Smile

COC1=NC2=CN=NC(=C2C=C1)C3=CC=CC=C3

DOS

IR

Vibrations