Geometry & MOs

Info

ID:	420126
PubChem CID:	135111300
Reduced:	ON4C13H20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	-13.41
Dipole, Da:	2.66
IP(EA), eV:	-8.96(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-(1-benzylpiperidin-4-yl)-4-hydroxy-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)N2CCOC3(C2)CCNCC3

DOS

IR

Vibrations