Geometry & MOs

Info

ID:	375373
PubChem CID:	131500125
Reduced:	BrClNSO2F3H4C7 (1)
Stoich.:	ABCDE2F3G4H7 (1)
Weight, g/mol:	192.101111
ΔH_f, kcal/mol:	-212.09
Dipole, Da:	9.38
IP(EA), eV:	-9.58(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,5-trimethyl-1,6-dihydro-[1,2]oxazolo[3,4-b]pyrazine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1C(F)(F)F)S(=O)(=O)Cl)Br)N

DOS

IR

Vibrations