Geometry & MOs

Info

ID:	378683
PubChem CID:	134224777
Reduced:	FPC7H14 (1)
Stoich.:	ABC7D14 (1)
Weight, g/mol:	456.136446
ΔH_f, kcal/mol:	-73.02
Dipole, Da:	3.18
IP(EA), eV:	-9.45(2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(4R)-2-oxabicyclo[2.2.1]heptan-5-yl]amino]pyrimidin-4-yl]pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)C1CC(C1)(F)P

DOS

IR

Vibrations