Geometry & MOs

Info

ID:	35777
PubChem CID:	7980314
Reduced:	NO4C20H23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	357.194008
ΔH_f, kcal/mol:	-130.87
Dipole, Da:	1.76
IP(EA), eV:	-8.82(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)OC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations