Geometry & MOs

Info

ID:	388923
PubChem CID:	134990614
Reduced:	NO6C18H25 (1)
Stoich.:	AB6C18D25 (1)
Weight, g/mol:	345.194008
ΔH_f, kcal/mol:	-255.12
Dipole, Da:	3.75
IP(EA), eV:	-9.61(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,9R,10R)-10-hydroxy-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](COC(O2)(C)C)OC1OCC3=CC=CC=C3)O

DOS

IR

Vibrations