Geometry & MOs

Info

ID:	422562
PubChem CID:	135118040
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-8.86
Dipole, Da:	9.85
IP(EA), eV:	-8.53(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C3=NC=C(C=C3)C#N)O

DOS

IR

Vibrations