Geometry & MOs

Info

ID:	20
PubChem CID:	1961
Reduced:	NO3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	329.199094
ΔH_f, kcal/mol:	-142.24
Dipole, Da:	2.34
IP(EA), eV:	-8.83(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C4CC5=C(C=CC(=C5O)O)C(O4)CN

DOS

IR

Vibrations