Geometry & MOs

Info

ID:	292350
PubChem CID:	114917311
Reduced:	OCl2N3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	301.074868
ΔH_f, kcal/mol:	-30.85
Dipole, Da:	4.81
IP(EA), eV:	-8.85(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dichloropyridin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C(=O)C2=CC(=NC=C2Cl)Cl

DOS

IR

Vibrations