Geometry & MOs

Info

ID:	417371
PubChem CID:	135092871
Reduced:	ON4C18H24 (1)
Stoich.:	AB4C18D24 (1)
Weight, g/mol:	303.160772
ΔH_f, kcal/mol:	6.56
Dipole, Da:	1.74
IP(EA), eV:	-9.03(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N,N-dimethyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CN=CN1)C(=O)C2CCC3=CC=CC=C23

DOS

IR

Vibrations