Geometry & MOs

Info

ID:	299724
PubChem CID:	117688867
Reduced:	NO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	436.183458
ΔH_f, kcal/mol:	-20.68
Dipole, Da:	5.28
IP(EA), eV:	-8.52(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethoxy)-5-[2-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C2COOCC3=C2C1=CC=C3

DOS

IR

Vibrations