Geometry & MOs

Info

ID:	314771
PubChem CID:	126623038
Reduced:	OF2N2C11H18 (1)
Stoich.:	AB2C2D11E18 (1)
Weight, g/mol:	353.0375
ΔH_f, kcal/mol:	-158.97
Dipole, Da:	1.04
IP(EA), eV:	-9.38(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-[(6-bromo-3-methylpyridin-2-yl)carbamoyl]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=C(C)C)F)NC(=O)[C@@H]1C[C@H](CN1)F

DOS

IR

Vibrations