Geometry & MOs

Info

ID:	142286
PubChem CID:	53010027
Reduced:	ClON5C26H30 (1)
Stoich.:	ABC5D26E30 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	26.42
Dipole, Da:	6.52
IP(EA), eV:	-8.5(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-methylphenyl)pyrimidin-2-yl]-N-propan-2-ylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)CCNC(=O)C2=CC3=C(C=C2)C=CN=C3N4CCN(CC4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations