Geometry & MOs

Info

ID:	1522
PubChem CID:	4637
Reduced:	NO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-151.05
Dipole, Da:	5.27
IP(EA), eV:	-8.5(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-10,13-diol

Drug info:

PubChemData

Smile

CN1CCC23CC(CCC2(C1CC4=C3C(=C(C=C4)OC)OC)O)O

DOS

IR

Vibrations