Geometry & MOs

Info

ID:	400052
PubChem CID:	135044860
Reduced:	OC19H28 (1)
Stoich.:	AB19C28 (1)
Weight, g/mol:	274.066365
ΔH_f, kcal/mol:	-56.13
Dipole, Da:	0.93
IP(EA), eV:	-9.07(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3,3-dimethyl-2-thiophen-2-ylchromen-4-one

Drug info:

PubChemData

Smile

CC(C)(C)OCCCC1=CCC(CC1)C2=CC=CC=C2

DOS

IR

Vibrations