Geometry & MOs

Info

ID:	304316
PubChem CID:	124525077
Reduced:	FNOH8C9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	212.104859
ΔH_f, kcal/mol:	-42.6
Dipole, Da:	2.29
IP(EA), eV:	-9.74(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,4R,7S)-7-acetyloxy-2-bicyclo[2.2.1]heptanyl] acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@H](C#N)O)F

DOS

IR

Vibrations