Geometry & MOs

Info

ID:	260955
PubChem CID:	103210746
Reduced:	ClOF3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	417.93882
ΔH_f, kcal/mol:	-218.97
Dipole, Da:	2.67
IP(EA), eV:	-9.48(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[chloro-(3-chloro-4-iodophenyl)methyl]-3,4-dihydro-2H-chromene

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CCOCC(F)(F)F)Cl

DOS

IR

Vibrations