Geometry & MOs

Info

ID:	260613
PubChem CID:	103197449
Reduced:	ClON4C11H15 (1)
Stoich.:	ABC4D11E15 (1)
Weight, g/mol:	354.10552
ΔH_f, kcal/mol:	-18.6
Dipole, Da:	3.05
IP(EA), eV:	-9.44(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromo-2-tert-butylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN(C1)C2=CC(=NC=N2)Cl

DOS

IR

Vibrations