Geometry & MOs

Info

ID:	211365
PubChem CID:	80938693
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	282.161125
ΔH_f, kcal/mol:	33.08
Dipole, Da:	7.75
IP(EA), eV:	-9.26(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-2-propylpyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)CC)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations