Geometry & MOs

Info

ID:	83044
PubChem CID:	49857051
Reduced:	BrN2O3H15C22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	425.166331
ΔH_f, kcal/mol:	-0.98
Dipole, Da:	7.24
IP(EA), eV:	-9.52(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2/C(=C(\C3=CC=CC=C3)/O)/C(=O)C(=O)N2C4=NC=CC(=C4)Br

DOS

IR

Vibrations