Geometry & MOs

Info

ID:	144754
PubChem CID:	53408140
Reduced:	ClFNOC8H9 (1)
Stoich.:	ABCDE8F9 (1)
Weight, g/mol:	361.89762
ΔH_f, kcal/mol:	-93.04
Dipole, Da:	2.11
IP(EA), eV:	-9.31(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6,8-dibromo-2H-chromene-3-carboxylate

Drug info:

PubChemData

Smile

C1C(C2=C(O1)C=CC(=C2)F)N.Cl

DOS

IR

Vibrations