Geometry & MOs

Info

ID:	35814
PubChem CID:	7980357
Reduced:	NO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-174.48
Dipole, Da:	4.85
IP(EA), eV:	-9.26(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)[C@@H](C)OC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations