Geometry & MOs

Info

ID:	127863
PubChem CID:	51020164
Reduced:	NOF5H14C16 (1)
Stoich.:	ABC5D14E16 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-220.36
Dipole, Da:	6.08
IP(EA), eV:	-9.38(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl] (1S,2R,4R)-bicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@]12CC[C@H](C1(C)C)C(=NC3=C(C(=C(C(=C3F)F)F)F)F)C2=O

DOS

IR

Vibrations