Geometry & MOs

Info

ID:	419930
PubChem CID:	135109823
Reduced:	FON5C16H18 (1)
Stoich.:	ABC5D16E18 (1)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-5.87
Dipole, Da:	3.08
IP(EA), eV:	-9.38(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=NC2=C(N1)C=C(C=C2)F)C(=O)CCCN3C=CC=N3

DOS

IR

Vibrations