Geometry & MOs

Info

ID:	297450
PubChem CID:	117618076
Reduced:	FO4N6H19C22 (1)
Stoich.:	AB4C6D19E22 (1)
Weight, g/mol:	391.180839
ΔH_f, kcal/mol:	-78.74
Dipole, Da:	5.68
IP(EA), eV:	-8.87(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[6-(cyclopenten-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-4-fluorophenyl]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)NC(=O)OC(=C)C

DOS

IR

Vibrations