Geometry & MOs

Info

ID:	322308
PubChem CID:	126669705
Reduced:	FN3O5C26H26 (1)
Stoich.:	AB3C5D26E26 (1)
Weight, g/mol:	370.225643
ΔH_f, kcal/mol:	-45.97
Dipole, Da:	4.44
IP(EA), eV:	-8.67(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-4-benzyl-6-cyclobutyl-2-hydroxy-4,9-diazatricyclo[4.3.1.03,8]decane-9-carboxylate

Drug info:

PubChemData

Smile

C1CC1C(=O)O[C@H]2[C@@H]3[C@@H]4C[C@H](CC2N4CC5=CC6=C(C=C5)OCO6)CN3C(=O)C7=NC=C(C=C7)F

DOS

IR

Vibrations