Geometry & MOs

Info

ID:	29995
PubChem CID:	838793
Reduced:	O2H8C9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	256.055801
ΔH_f, kcal/mol:	-86.12
Dipole, Da:	5.09
IP(EA), eV:	-8.62(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3-(thiophen-2-ylmethylidene)chromen-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/2\COC3=CC=CC=C3C2=O)OC

DOS

IR

Vibrations