Geometry & MOs

Info

ID:	438134
PubChem CID:	135227757
Reduced:	BrON4H11C22 (1)
Stoich.:	ABC4D11E22 (1)
Weight, g/mol:	173.076454
ΔH_f, kcal/mol:	155.22
Dipole, Da:	5.96
IP(EA), eV:	-9.75(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4,6-difluoro-1,3,5-triazine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=NN=C(O2)C3=CC(=CC=C3)Br)C4=CC(=CC(=C4)C#N)C#N

DOS

IR

Vibrations