Geometry & MOs

Info

ID:	61031
PubChem CID:	26704557
Reduced:	FO4H15C20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	401.9903
ΔH_f, kcal/mol:	-156.93
Dipole, Da:	5.97
IP(EA), eV:	-9.2(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 4-bromo-2-fluorobenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3)F

DOS

IR

Vibrations