Geometry & MOs

Info

ID:	419848
PubChem CID:	135109373
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-5.83
Dipole, Da:	2.98
IP(EA), eV:	-8.62(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-ethyl-4-hydroxy-3-methoxy-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NC(=O)CN2CCC(CC2)OCC3=CC=CC=N3

DOS

IR

Vibrations