Geometry & MOs

Info

ID:	181491
PubChem CID:	76750850
Reduced:	FON7C24H26 (1)
Stoich.:	ABC7D24E26 (1)
Weight, g/mol:	441.172479
ΔH_f, kcal/mol:	26.91
Dipole, Da:	4.43
IP(EA), eV:	-8.66(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[1-(2,4-difluorophenyl)ethylamino]-2-(2-methoxyethoxy)pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)F)NC2=NC(=NC(=C2)C3=C4N=CC=CN4N=C3N)OCC5CCCC5

DOS

IR

Vibrations