Geometry & MOs

Info

ID:	151785
PubChem CID:	56310586
Reduced:	FO3N4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	411.218287
ΔH_f, kcal/mol:	-149.14
Dipole, Da:	3.06
IP(EA), eV:	-8.69(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluoro-N-propan-2-ylanilino)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)N(CC(=O)NN1C(=O)C2(CCCCC2)NC1=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations