Geometry & MOs

Info

ID:	431215
PubChem CID:	135171285
Reduced:	ON2C10H16 (2)
Stoich.:	AB2C10D16 (2)
Weight, g/mol:	411.18821
ΔH_f, kcal/mol:	-39.51
Dipole, Da:	4.26
IP(EA), eV:	-8.51(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCN=C(/C(=C(\C)/N(C)C)/C)N1CCC(CC1)OC2=CN=C(C=C2)OC

DOS

IR

Vibrations