Geometry & MOs

Info

ID:	83172
PubChem CID:	49857241
Reduced:	OF2N5C24H25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	397.171417
ΔH_f, kcal/mol:	-52.71
Dipole, Da:	4.97
IP(EA), eV:	-8.64(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN3C(=NC(=C3NC4=CC=C(C=C4)F)C5=CC=C(C=C5)F)C2

DOS

IR

Vibrations