Geometry & MOs

Info

ID:	82347
PubChem CID:	49855919
Reduced:	OF2N4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	398.155432
ΔH_f, kcal/mol:	-65.71
Dipole, Da:	0.9
IP(EA), eV:	-9.02(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[[2-(4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC1(C2=NC(=C(N2CC(=O)N1)NC3=CC(=CC=C3)F)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations