Geometry & MOs

Info

ID:	229816
PubChem CID:	87569190
Reduced:	NO2H21C22 (1)
Stoich.:	AB2C21D22 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	106.9
Dipole, Da:	6.42
IP(EA), eV:	-8.37(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(diethylamino)-4-ethynyl-3-methylchromen-2-one

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C)C#C.C1=CC2=CC2=C1

DOS

IR

Vibrations