Geometry & MOs

Info

ID:	413376
PubChem CID:	135086325
Reduced:	BrOH11C15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	276.01087
ΔH_f, kcal/mol:	24.39
Dipole, Da:	2.16
IP(EA), eV:	-8.73(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(4-chlorophenyl)-4H-chromene

Drug info:

PubChemData

Smile

C1C=C(OC2=CC=CC=C21)C3=CC=C(C=C3)Br

DOS

IR

Vibrations