Geometry & MOs

Info

ID:	45621
PubChem CID:	10515715
Reduced:	FIC9H10 (1)
Stoich.:	ABC9D10 (1)
Weight, g/mol:	264.00111
ΔH_f, kcal/mol:	-24.59
Dipole, Da:	2.35
IP(EA), eV:	-9.66(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3R,4R,5S,6S)-3-iodo-5-(methoxymethyl)tricyclo[2.2.1.02,6]heptane

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCCI)F

DOS

IR

Vibrations