Geometry & MOs

Info

ID:	230211
PubChem CID:	87570425
Reduced:	B2Cl2O5H8C16 (1)
Stoich.:	A2B2C5D8E16 (1)
Weight, g/mol:	317.141579
ΔH_f, kcal/mol:	-98.87
Dipole, Da:	5.3
IP(EA), eV:	-8.41(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(diethylamino)-4-(4-ethynylphenyl)chromen-2-one

Drug info:

PubChemData

Smile

[B](C1=CC(=CC=C1)C(=O)Cl)C(=O)OC(=O)[B]C2=CC(=CC=C2)C(=O)Cl

DOS

IR

Vibrations