Geometry & MOs

Info

ID:	83475
PubChem CID:	49857636
Reduced:	NO6C16H24 (1)
Stoich.:	AB6C16D24 (1)
Weight, g/mol:	384.139782
ΔH_f, kcal/mol:	-242.21
Dipole, Da:	16.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.021284
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC=C1C(=O)O.C[N+](C)(C)CCCC(=O)O

DOS

IR

Vibrations