Geometry & MOs

Info

ID:	83479
PubChem CID:	49857640
Reduced:	F2O3N5H25C28 (1)
Stoich.:	A2B3C5D25E28 (1)
Weight, g/mol:	399.150681
ΔH_f, kcal/mol:	-109.3
Dipole, Da:	5.19
IP(EA), eV:	-8.93(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[3-(4-fluoroanilino)-2-(4-fluoro-2-hydroxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

Drug info:

PubChemData

Smile

C1CN2C(=NC(=C2NC3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CN1C(=O)CNC(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations