Geometry & MOs

Info

ID:	31003
PubChem CID:	854079
Reduced:	NO3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	317.199094
ΔH_f, kcal/mol:	-126.98
Dipole, Da:	2.37
IP(EA), eV:	-8.74(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-2-(hydroxymethyl)-2-phenylbutanoate

Drug info:

PubChemData

Smile

CC[C@@](CO)(C1=CC=CC=C1)C(=O)OC2C[C@H]3CC[C@@H](C2)N3C

DOS

IR

Vibrations