Geometry & MOs

Info

ID:	414854
PubChem CID:	135087826
Reduced:	ON4C22H26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	12.13
Dipole, Da:	2.71
IP(EA), eV:	-9.29(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethoxy-2-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]quinoline

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)N[C@@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34)C

DOS

IR

Vibrations