Geometry & MOs

Info

ID:	11770
PubChem CID:	120726
Reduced:	NO7C24H39 (1)
Stoich.:	AB7C24D39 (1)
Weight, g/mol:	453.272653
ΔH_f, kcal/mol:	-208.52
Dipole, Da:	5.18
IP(EA), eV:	-8.42(1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,16-tetrol

Drug info:

PubChemData

Smile

CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6O)OC)O)O)OC)O)COC

DOS

IR

Vibrations