Geometry & MOs

Info

ID:	417324
PubChem CID:	135092063
Reduced:	SN2O3C18H26 (1)
Stoich.:	AB2C3D18E26 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	-126.47
Dipole, Da:	7.58
IP(EA), eV:	-9.05(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-ethylimidazol-2-yl)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)CCCC3=CC=CS3)C(=O)O

DOS

IR

Vibrations