Geometry & MOs

Info

ID:	59610
PubChem CID:	24888369
Reduced:	ClFN6C26H28 (1)
Stoich.:	ABC6D26E28 (1)
Weight, g/mol:	490.224787
ΔH_f, kcal/mol:	50.41
Dipole, Da:	4.01
IP(EA), eV:	-8.27(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-chlorophenyl)-3-[5-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CC1=NC2=C(C=NN2C(=C1C3=CC(=CC=C3)Cl)N)C4=C(C=CC(=C4)N(C)C5CCN(CC5)C)F

DOS

IR

Vibrations