Geometry & MOs

Info

ID:	415907
PubChem CID:	135088909
Reduced:	NOC9H11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	372.234768
ΔH_f, kcal/mol:	-70.3
Dipole, Da:	3.87
IP(EA), eV:	-8.73(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-ethylimidazol-2-yl)-1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidine

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)C(=O)C3=CC=CC4=C3NC=C4)O

DOS

IR

Vibrations