Geometry & MOs

Info

ID:	340291
PubChem CID:	127262302
Reduced:	NO3C25H25 (1)
Stoich.:	AB3C25D25 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	-22.47
Dipole, Da:	4.11
IP(EA), eV:	-9.22(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[cyano(phenyl)methyl] (3R)-tricyclo[5.2.1.02,6]decane-3-carboxylate

Drug info:

PubChemData

Smile

C1CC2C3CCC(C3)C2[C@@H]1C(=O)OC(C#N)C4=CC(=CC=C4)OC5=CC=CC=C5

DOS

IR

Vibrations