Geometry & MOs

Info

ID:	299718
PubChem CID:	117688825
Reduced:	OF2N6H16C17 (1)
Stoich.:	AB2C6D16E17 (1)
Weight, g/mol:	404.17723
ΔH_f, kcal/mol:	-27.75
Dipole, Da:	4.04
IP(EA), eV:	-9.35(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethoxy)-5-[6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyrrolidin-1-ylpyrimidin-4-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=NC(=NC(=C2)C3=CC(=C(N=C3)N)OC(F)F)C4CC4

DOS

IR

Vibrations