Geometry & MOs

Info

ID:	146886
PubChem CID:	53765797
Reduced:	N2O5C38H44 (1)
Stoich.:	A2B5C38D44 (1)
Weight, g/mol:	321.15896
ΔH_f, kcal/mol:	-135.34
Dipole, Da:	3.65
IP(EA), eV:	-8.3(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-benzylhydrazinyl)-6-(2,6-dimethylphenyl)-1H-1,3,5-triazin-4-one

Drug info:

PubChemData

Smile

CN(C)C(=O)COC1=CC2=C(CC[C@@H](C2)NC[C@H](C3=CC(=C(C=C3)OCC4=CC=CC=C4)CCOCC5=CC=CC=C5)O)C=C1

DOS

IR

Vibrations