Geometry & MOs

Info

ID:	418884
PubChem CID:	135107072
Reduced:	FO3N5C20H24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-97.34
Dipole, Da:	7.77
IP(EA), eV:	-9.56(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN2CCC1CNC(=O)C3=C(C=CC(=C3)F)OCCN4C=C(CCC2=O)N=N4

DOS

IR

Vibrations