Geometry & MOs

Info

ID:	426822
PubChem CID:	135154079
Reduced:	ClO2N4C16H19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	207.137162
ΔH_f, kcal/mol:	-11.68
Dipole, Da:	4.13
IP(EA), eV:	-8.7(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-ol

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)Cl

DOS

IR

Vibrations