Geometry & MOs

Info

ID:	340290
PubChem CID:	127262301
Reduced:	N2H14C25 (1)
Stoich.:	A2B14C25 (1)
Weight, g/mol:	387.183444
ΔH_f, kcal/mol:	117.07
Dipole, Da:	2.19
IP(EA), eV:	-8.21(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C3C4=C1C=CC5=C4C6=C7C3=C(C=C2)C=CC7=C(C=C6C=C5)/C=N/N

DOS

IR

Vibrations