Geometry & MOs

Info

ID:	210045
PubChem CID:	80753627
Reduced:	OF2N4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	263.17461
ΔH_f, kcal/mol:	-85.55
Dipole, Da:	3.1
IP(EA), eV:	-8.73(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1NC2=CC=CC=C2OC(F)F)NC

DOS

IR

Vibrations