Geometry & MOs

Info

ID:	416455
PubChem CID:	135089468
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	335.209658
ΔH_f, kcal/mol:	-77.18
Dipole, Da:	2.77
IP(EA), eV:	-8.99(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[2-(2,4-dimethylphenoxy)ethyl]-4-hydroxy-3-methoxy-N-methylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NC(=O)CN(C)CC2COCCO2

DOS

IR

Vibrations