Geometry & MOs

Info

ID:	376557
PubChem CID:	134222576
Reduced:	BrPN3O5C22H29 (1)
Stoich.:	ABC3D5E22F29 (1)
Weight, g/mol:	386.117904
ΔH_f, kcal/mol:	-262.34
Dipole, Da:	4.04
IP(EA), eV:	-8.65(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(5-fluoropyridin-3-yl)-2-(furan-2-ylmethyl)-6-phenyl-7H-imidazo[1,2-a]pyrazin-3-one

Drug info:

PubChemData

Smile

CCOP(=O)(C(C(=O)OC(C)(C)C)NC1=NC2=C(C3=CC=CC=C3CC2)N=C1Br)OCC

DOS

IR

Vibrations