Geometry & MOs

Info

ID:	45858
PubChem CID:	10518284
Reduced:	IN2O2C8H17 (1)
Stoich.:	AB2C2D8E17 (1)
Weight, g/mol:	300.04563
ΔH_f, kcal/mol:	-69.27
Dipole, Da:	13.38
IP(EA), eV:	-7.82(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-acetyl-5-hydroxy-4-methyl-3-thiophen-2-ylchromen-2-one

Drug info:

PubChemData

Smile

CC(C)[N+]1(CCC(N1C=O)O)C.[I-]

DOS

IR

Vibrations