Geometry & MOs

Info

ID:	324812
PubChem CID:	126678392
Reduced:	N2O5C28H34 (1)
Stoich.:	A2B5C28D34 (1)
Weight, g/mol:	375.204573
ΔH_f, kcal/mol:	-188.18
Dipole, Da:	9.28
IP(EA), eV:	-8.87(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-O-tert-butyl 2-O-methyl (1S,2R,3R,5R)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H]([C@@H](C2)C3=CC=C(C=C3)OC)COC4=CC5=C(CNC5=O)C=C4

DOS

IR

Vibrations