Geometry & MOs

Info

ID:	437232
PubChem CID:	135216469
Reduced:	FO3N5C32H32 (1)
Stoich.:	AB3C5D32E32 (1)
Weight, g/mol:	343.181526
ΔH_f, kcal/mol:	-60.65
Dipole, Da:	1.94
IP(EA), eV:	-9.0(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(4,4-dimethylpiperidin-1-yl)-3-ethyl-5-(5-methylpyridin-2-yl)pyridine

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1CC(=O)O)N2CCC(CC2)(C)C)C3=CC(=C(C=C3)CNC4=NC=NC5=C4OC6=CC=CC=C65)F

DOS

IR

Vibrations