Geometry & MOs

Info

ID:	443638
PubChem CID:	135259626
Reduced:	NO3H9C10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	348.082016
ΔH_f, kcal/mol:	-166.25
Dipole, Da:	9.32
IP(EA), eV:	-8.89(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-4-[5-(4-methylphenyl)thiophen-2-yl]chromen-2-one

Drug info:

PubChemData

Smile

CN(C1=CC(=C(C=C1)OC)NC(=O)C(=O)OC)C2=CC(=O)OC3=CC=CC=C32

DOS

IR

Vibrations