Geometry & MOs

Info

ID:	415384
PubChem CID:	135088378
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-105.47
Dipole, Da:	5.73
IP(EA), eV:	-9.09(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3R,4S)-4-hydroxy-3-methoxycyclohexyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(COC)C(=O)N[C@@H]1COC[C@H]1CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations