Geometry & MOs

Info

ID:	48162
PubChem CID:	10537628
Reduced:	O3N4C10H10 (1)
Stoich.:	A3B4C10D10 (1)
Weight, g/mol:	234.086764
ΔH_f, kcal/mol:	-77.36
Dipole, Da:	6.31
IP(EA), eV:	-8.91(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,4S)-2-ethenyl-2-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)N=C(N)N

DOS

IR

Vibrations