Geometry & MOs

Info

ID:	83175
PubChem CID:	49857244
Reduced:	OF2N5H19C20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	407.212139
ΔH_f, kcal/mol:	-48.1
Dipole, Da:	4.39
IP(EA), eV:	-8.85(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN2C(=NC(=C2NC3=CC(=CC=C3)F)C4=CC=C(C=C4)F)CN1C(=O)CN

DOS

IR

Vibrations