Geometry & MOs

Info

ID:	82765
PubChem CID:	49856486
Reduced:	ClOF2N5H18C20 (1)
Stoich.:	ABC2D5E18F20 (1)
Weight, g/mol:	437.186318
ΔH_f, kcal/mol:	-55.49
Dipole, Da:	3.94
IP(EA), eV:	-8.84(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations