Geometry & MOs

Info

ID:	297453
PubChem CID:	117618206
Reduced:	FO4N6H25C27 (1)
Stoich.:	AB4C6D25E27 (1)
Weight, g/mol:	434.166666
ΔH_f, kcal/mol:	-87.47
Dipole, Da:	5.3
IP(EA), eV:	-8.98(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-fluoro-N-[4-fluoro-3-[6-(3-methylpyridin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]phenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C(=O)NC2=CC(=C(C=C2)F)C3=CN4C=C(C=NC4=N3)C5=CC=CN5C(=O)OC(C)(C)C

DOS

IR

Vibrations