Geometry & MOs

Info

ID:	372777
PubChem CID:	131304554
Reduced:	ClNF2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	316.95489
ΔH_f, kcal/mol:	-90.25
Dipole, Da:	0.98
IP(EA), eV:	-9.67(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-iodo-1,3-benzoxazole-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)F)[C@@H](CCF)N

DOS

IR

Vibrations