Geometry & MOs

Info

ID:	421122
PubChem CID:	135115405
Reduced:	NO3C21H29 (1)
Stoich.:	AB3C21D29 (1)
Weight, g/mol:	347.209658
ΔH_f, kcal/mol:	-124.29
Dipole, Da:	4.73
IP(EA), eV:	-9.62(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3R,4S)-4-hydroxy-3-methoxycyclohexyl]-[4-(4-methylphenoxy)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC2(C1)CC2(C3=CC=CC=C3)C(=O)NCC4(CCOCC4)CO

DOS

IR

Vibrations