Geometry & MOs

Info

ID:	190393
PubChem CID:	77996293
Reduced:	N2F3O3C18H23 (1)
Stoich.:	A2B3C3D18E23 (1)
Weight, g/mol:	281.128803
ΔH_f, kcal/mol:	-292.18
Dipole, Da:	6.8
IP(EA), eV:	-9.81(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2,4-diamino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]methanol

Drug info:

PubChemData

Smile

CCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)CC(F)(F)F)NC(=O)C

DOS

IR

Vibrations