Geometry & MOs

Info

ID:	15766
PubChem CID:	449850
Reduced:	FINO2C18H23 (1)
Stoich.:	ABCD2E18F23 (1)
Weight, g/mol:	430.08719
ΔH_f, kcal/mol:	-110.31
Dipole, Da:	2.13
IP(EA), eV:	-9.07(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(111C)methyl 8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate

Drug info:

PubChemData

Smile

[11CH3]OC(=O)C1C2CCC(N2CCCF)CC1C3=CC=C(C=C3)I

DOS

IR

Vibrations