Geometry & MOs

Info

ID:	431310
PubChem CID:	135171381
Reduced:	ClO3N4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	433.188067
ΔH_f, kcal/mol:	-82.17
Dipole, Da:	9.59
IP(EA), eV:	-9.01(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-4-chloro-6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)CO)N2CCC(CC2)OC3=CC4=C(CCN(C4=O)C)C=C3

DOS

IR

Vibrations