Geometry & MOs

Info

ID:	342181
PubChem CID:	127264894
Reduced:	ClF3N4C14H16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	336.169859
ΔH_f, kcal/mol:	-101.35
Dipole, Da:	5.47
IP(EA), eV:	-9.35(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(1-benzylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CNC(C)C2=C(N=C(C=C2)C(F)(F)F)Cl

DOS

IR

Vibrations