Geometry & MOs

Info

ID:	324337
PubChem CID:	126677464
Reduced:	NSC20H25 (1)
Stoich.:	ABC20D25 (1)
Weight, g/mol:	304.144787
ΔH_f, kcal/mol:	57.85
Dipole, Da:	2.57
IP(EA), eV:	-8.56(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-5-fluoropiperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C/C=C(/C)\C(=C/C(=C)C1=CC=CC=C1)\SC(=N/C(=C\C)/C)C

DOS

IR

Vibrations