Geometry & MOs

Info

ID:	415714
PubChem CID:	135088714
Reduced:	ON7C20H21 (1)
Stoich.:	AB7C20D21 (1)
Weight, g/mol:	296.173607
ΔH_f, kcal/mol:	93.97
Dipole, Da:	3.49
IP(EA), eV:	-9.34(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)C4=CC=CC=C4)CN(C1)C(=O)CN5C=NN=N5

DOS

IR

Vibrations