Geometry & MOs

Info

ID:	208656
PubChem CID:	80560937
Reduced:	ON2F3C11H13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	406.05535
ΔH_f, kcal/mol:	-165.9
Dipole, Da:	5.96
IP(EA), eV:	-8.82(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(4-fluoro-2-iodoanilino)cyclobutyl]carbamate

Drug info:

PubChemData

Smile

C1C(CC1NC2=CC(=C(C=C2)OC(F)F)F)N

DOS

IR

Vibrations