Geometry & MOs

Info

ID:	305574
PubChem CID:	124960710
Reduced:	O2N5C25H33 (1)
Stoich.:	A2B5C25D33 (1)
Weight, g/mol:	298.215747
ΔH_f, kcal/mol:	5.53
Dipole, Da:	6.74
IP(EA), eV:	-8.76(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]pyridine

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC=CC=C2CN3CCOC[C@@H](C3)CC4=CN5C=CN=C5C=N4

DOS

IR

Vibrations