Geometry & MOs

Info

ID:	82943
PubChem CID:	49856856
Reduced:	FN3O4H14C20 (1)
Stoich.:	AB3C4D14E20 (1)
Weight, g/mol:	399.243439
ΔH_f, kcal/mol:	-82.03
Dipole, Da:	4.62
IP(EA), eV:	-9.72(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=CC=C3F)C4=NC=NC=C4)O

DOS

IR

Vibrations