Geometry & MOs

Info

ID:	224964
PubChem CID:	85735171
Reduced:	ClFNO2C15H21 (1)
Stoich.:	ABCD2E15F21 (1)
Weight, g/mol:	358.02046
ΔH_f, kcal/mol:	-149.09
Dipole, Da:	2.41
IP(EA), eV:	-9.69(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-bromoethoxy)-2-(4-methylphenyl)chromen-4-one

Drug info:

PubChemData

Smile

CCCC=CCOC(=O)C(CC1=CC=CC=C1F)N.Cl

DOS

IR

Vibrations