Geometry & MOs

Info

ID:	414557
PubChem CID:	135087516
Reduced:	NF2O4C19H25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	296.173607
ΔH_f, kcal/mol:	-284.29
Dipole, Da:	2.62
IP(EA), eV:	-9.49(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-3-methoxy-N-methylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)C(=O)CCC3=C(C=C(C=C3)F)F)OC[C@@H]1O)O

DOS

IR

Vibrations