Geometry & MOs

Info

ID:	221051
PubChem CID:	85256626
Reduced:	ClO4H11C13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	267.107085
ΔH_f, kcal/mol:	-164.36
Dipole, Da:	6.44
IP(EA), eV:	-9.57(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-difluoro-2-[(4-methoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptan-3-one

Drug info:

PubChemData

Smile

CC12CC3=C(C1C(C(=O)O2)C(=O)O)C=C(C=C3)Cl

DOS

IR

Vibrations