Geometry & MOs

Info

ID:	128031
PubChem CID:	51027857
Reduced:	ClO2C7H7 (1)
Stoich.:	AB2C7D7 (1)
Weight, g/mol:	281.09827
ΔH_f, kcal/mol:	-63.96
Dipole, Da:	2.82
IP(EA), eV:	-9.82(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

C1C[C@@H]2C([C@@H]1C(=O)C2=O)Cl

DOS

IR

Vibrations