Geometry & MOs

Info

ID:	83174
PubChem CID:	49857243
Reduced:	OF2N5C22H23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	383.155767
ΔH_f, kcal/mol:	-62.24
Dipole, Da:	3.52
IP(EA), eV:	-8.82(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[3-(3-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(=C2NC3=CC(=CC=C3)F)C4=CC=C(C=C4)F)C1)N

DOS

IR

Vibrations