Geometry & MOs

Info

ID:	187535
PubChem CID:	77586168
Reduced:	O4N5C12H19 (1)
Stoich.:	A4B5C12D19 (1)
Weight, g/mol:	556.87722
ΔH_f, kcal/mol:	-128.33
Dipole, Da:	6.16
IP(EA), eV:	-9.75(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dibromo-4-[3-[1-bromo-2-(4-ethylphenyl)ethoxy]-3H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(=O)OCC1=CN(N=N1)CCC2CN(CCN2)C(=O)O

DOS

IR

Vibrations