Geometry & MOs

Info

ID:	348436
PubChem CID:	127273537
Reduced:	ClN3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-77.45
Dipole, Da:	8.6
IP(EA), eV:	-8.57(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butylpyrimidin-5-yl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=C(C=C2)C(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

DOS

IR

Vibrations