Geometry & MOs

Info

ID:	13985
PubChem CID:	401313
Reduced:	ClN2O2C20H33 (1)
Stoich.:	AB2C2D20E33 (1)
Weight, g/mol:	368.223056
ΔH_f, kcal/mol:	-135.86
Dipole, Da:	6.87
IP(EA), eV:	-8.81(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-3-yl]methanol;hydrochloride

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CC=C(C=C2)CN3CCCC(C3)CO)CO.Cl

DOS

IR

Vibrations