Geometry & MOs

Info

ID:	426874
PubChem CID:	135154287
Reduced:	F2N3O4H9C12 (1)
Stoich.:	A2B3C4D9E12 (1)
Weight, g/mol:	468.167666
ΔH_f, kcal/mol:	-107.02
Dipole, Da:	6.34
IP(EA), eV:	-10.41(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(N=C1)C2=C(C=CC(=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations