Geometry & MOs

Info

ID:	372386
PubChem CID:	131296776
Reduced:	F3O3H7C9 (1)
Stoich.:	A3B3C7D9 (1)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	-259.95
Dipole, Da:	6.15
IP(EA), eV:	-9.96(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethoxy-4-hydroxy-2,3-dihydrochromene-4-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(F)F)O)F)CC(=O)O

DOS

IR

Vibrations