Geometry & MOs

Info

ID:	225303
PubChem CID:	85756454
Reduced:	ON3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	441.86969
ΔH_f, kcal/mol:	32.06
Dipole, Da:	3.82
IP(EA), eV:	-8.74(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6-dibromophenoxy)-7-methoxychromene-2-thione

Drug info:

PubChemData

Smile

CCCCC(CC)CC1=CC(=C(C=C1)N2N=C3C=CC=CC3=N2)O

DOS

IR

Vibrations