Geometry & MOs

Info

ID:	250573
PubChem CID:	103097605
Reduced:	BrFO2N3H9C13 (1)
Stoich.:	ABC2D3E9F13 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-30.7
Dipole, Da:	1.47
IP(EA), eV:	-9.28(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hexyl-7-methylimidazo[1,2-a]imidazole-6-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=CN2C1=NC(=C2)C3=C(C=CC(=C3)Br)F)C(=O)O

DOS

IR

Vibrations