Geometry & MOs

Info

ID:	279
PubChem CID:	2487
Reduced:	NO2C21H29 (1)
Stoich.:	AB2C21D29 (1)
Weight, g/mol:	327.219829
ΔH_f, kcal/mol:	-86.33
Dipole, Da:	1.88
IP(EA), eV:	-8.65(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol

Drug info:

PubChemData

Smile

C1CCC2(C3CC4=C(C2(C1)CCN3CC5CCC5)C=C(C=C4)O)O

DOS

IR

Vibrations