Geometry & MOs

Info

ID:	321543
PubChem CID:	126666556
Reduced:	ClON5C22H22 (1)
Stoich.:	ABC5D22E22 (1)
Weight, g/mol:	147.069557
ΔH_f, kcal/mol:	32.6
Dipole, Da:	3.11
IP(EA), eV:	-9.18(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,3R)-3-fluorocyclopentyl]carbamic acid

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)Cl)CC5=NC=NC(=C5)C

DOS

IR

Vibrations