Geometry & MOs

Info

ID:	447304
PubChem CID:	135281866
Reduced:	NF3O5C12H18 (1)
Stoich.:	AB3C5D12E18 (1)
Weight, g/mol:	187.038176
ΔH_f, kcal/mol:	-403.63
Dipole, Da:	4.03
IP(EA), eV:	-10.15(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3,5-triazin-2-yl)cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@](C[C@@H]1C(=O)O)(C(F)(F)F)OC

DOS

IR

Vibrations