Geometry & MOs

Info

ID:	61032
PubChem CID:	26704558
Reduced:	BrFO4H12C19 (1)
Stoich.:	ABC4D12E19 (1)
Weight, g/mol:	413.137556
ΔH_f, kcal/mol:	-144.21
Dipole, Da:	6.12
IP(EA), eV:	-9.17(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (E)-3-(1-benzyltriazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OC(=O)C4=C(C=C(C=C4)Br)F

DOS

IR

Vibrations