Geometry & MOs

Info

ID:	375251
PubChem CID:	131481078
Reduced:	BrFNO3C9H9 (1)
Stoich.:	ABCD3E9F9 (1)
Weight, g/mol:	255.95959
ΔH_f, kcal/mol:	-147.76
Dipole, Da:	3.81
IP(EA), eV:	-9.68(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-bromoimidazo[1,2-b][1,2,4]triazine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@](C1=C(C(=CC(=C1)F)Br)O)(C(=O)O)N

DOS

IR

Vibrations