Geometry & MOs

Info

ID:	321723
PubChem CID:	126666887
Reduced:	O2F10H14C19 (1)
Stoich.:	A2B10C14D19 (1)
Weight, g/mol:	416.160831
ΔH_f, kcal/mol:	-571.73
Dipole, Da:	4.16
IP(EA), eV:	-9.56(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[[(3R,4R)-4-hydroxyoxan-3-yl]amino]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=C(C=C1)O)C(C(F)(F)F)(F)F)C2=CC(=C(C=C2)O)C(C(F)(F)F)(F)F

DOS

IR

Vibrations