Geometry & MOs

Info

ID:	26874
PubChem CID:	801049
Reduced:	FN2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	346.0772
ΔH_f, kcal/mol:	-98.61
Dipole, Da:	3.96
IP(EA), eV:	-8.47(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-6-fluorophenyl)-6-ethyl-7-methoxy-2-methylchromen-4-one

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1O)O)C2=NNC(=C2OC3=CC=C(C=C3)F)C

DOS

IR

Vibrations