Geometry & MOs

Info

ID:	378770
PubChem CID:	134224868
Reduced:	BrH25C34 (1)
Stoich.:	AB25C34 (1)
Weight, g/mol:	242.040151
ΔH_f, kcal/mol:	125.06
Dipole, Da:	3.16
IP(EA), eV:	-8.69(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-3-thiophen-2-ylchromen-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CC2=CC3=C(C=C2)C=C(C=C3)C4=CC5=C(C=C4)C=C(C=C5)Br)C6=CC=CC=C6

DOS

IR

Vibrations