Geometry & MOs

Info

ID:	11341
PubChem CID:	114184
Reduced:	NO3C21H29 (1)
Stoich.:	AB3C21D29 (1)
Weight, g/mol:	343.214744
ΔH_f, kcal/mol:	-136.08
Dipole, Da:	1.87
IP(EA), eV:	-8.56(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(1R,9S,10R)-4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN1CC[C@]23CCCC[C@H]2[C@@H]1CC4=C3C=C(C=C4)O

DOS

IR

Vibrations