Geometry & MOs

Info

ID:	83171
PubChem CID:	49857240
Reduced:	OF2N5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	437.202717
ΔH_f, kcal/mol:	-46.82
Dipole, Da:	2.51
IP(EA), eV:	-8.62(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CNCC(=O)N1CCN2C(=NC(=C2NC3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C1

DOS

IR

Vibrations