Geometry & MOs

Info

ID:	82852
PubChem CID:	49856671
Reduced:	F3O3N4H21C25 (1)
Stoich.:	A3B3C4D21E25 (1)
Weight, g/mol:	411.187067
ΔH_f, kcal/mol:	-167.45
Dipole, Da:	2.43
IP(EA), eV:	-9.53(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2[C@H](/C(=C(\C3=CC=C(C=C3)C(C)C)/O)/C(=O)C2=O)C4=CN=C(C=C4)C(F)(F)F

DOS

IR

Vibrations