Geometry & MOs

Info

ID:	439506
PubChem CID:	135229280
Reduced:	NO2C6H12 (2)
Stoich.:	AB2C6D12 (2)
Weight, g/mol:	554.221895
ΔH_f, kcal/mol:	-203.91
Dipole, Da:	7.92
IP(EA), eV:	-9.48(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]-6-(4-methylphenyl)-5-phenyl-1,2,4-triazine

Drug info:

PubChemData

Smile

CC(C)NCC(=O)OCCCC(C)NCC(=O)O

DOS

IR

Vibrations