Geometry & MOs

Info

ID:	82764
PubChem CID:	49856485
Reduced:	FON5C22H30 (1)
Stoich.:	ABC5D22E30 (1)
Weight, g/mol:	417.116794
ΔH_f, kcal/mol:	-62.8
Dipole, Da:	3.49
IP(EA), eV:	-8.42(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCN2C(=NC(=C2NC3CCCCC3)C4=CC=C(C=C4)F)C1)N

DOS

IR

Vibrations