Geometry & MOs

Info

ID:	373709
PubChem CID:	131319033
Reduced:	BrFNO2H9C11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	284.9749
ΔH_f, kcal/mol:	-87.47
Dipole, Da:	2.15
IP(EA), eV:	-8.97(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-bromo-5-(5-methyl-1,2-oxazol-3-ylidene)imidazole-2-carboxylate

Drug info:

PubChemData

Smile

CN1C(=CC2=CC(=CC(=C21)F)Br)C(=O)OC

DOS

IR

Vibrations