Geometry & MOs

Info

ID:	194681
PubChem CID:	78574734
Reduced:	O4C21H24 (1)
Stoich.:	A4B21C24 (1)
Weight, g/mol:	332.087101
ΔH_f, kcal/mol:	-102.0
Dipole, Da:	2.69
IP(EA), eV:	-8.4(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-methylthiophen-2-yl)methylidene]-2-phenylchromen-4-one

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=CC(=C1)C=CC(=O)C2=CC(=CC=C2)OC)OC

DOS

IR

Vibrations