Geometry & MOs

Info

ID:	35778
PubChem CID:	7980315
Reduced:	NO4C21H27 (1)
Stoich.:	AB4C21D27 (1)
Weight, g/mol:	357.194008
ΔH_f, kcal/mol:	-175.06
Dipole, Da:	4.04
IP(EA), eV:	-9.17(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)COC4=CC=CC=C4

DOS

IR

Vibrations