Geometry & MOs

Info

ID:	188090
PubChem CID:	77668073
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	587.04588
ΔH_f, kcal/mol:	44.72
Dipole, Da:	8.28
IP(EA), eV:	-9.69(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chlorophenyl)methyl 2-[4-(3-bromo-4-methoxyphenoxy)-3,5-dimethylphenyl]-3,5-dioxo-1,2,4-triazinane-6-carboxylate

Drug info:

PubChemData

Smile

C1CC2C(CC1C#CCC3=CC=CC=C3)CC(C(=O)N2)CN4C=NN=C4

DOS

IR

Vibrations