Geometry & MOs

Info

ID:	201982
PubChem CID:	79613008
Reduced:	N2O3C16H28 (1)
Stoich.:	A2B3C16D28 (1)
Weight, g/mol:	355.05832
ΔH_f, kcal/mol:	-175.22
Dipole, Da:	6.03
IP(EA), eV:	-9.63(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[8-[(4-bromo-2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCCCC(C)NC(=O)N1C2CCC1CC(C2)CC(=O)O

DOS

IR

Vibrations