Geometry & MOs

Info

ID:	83312
PubChem CID:	49857438
Reduced:	O4C5H10 (1)
Stoich.:	A4B5C10 (1)
Weight, g/mol:	379.180839
ΔH_f, kcal/mol:	-193.5
Dipole, Da:	1.79
IP(EA), eV:	-10.74(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O

DOS

IR

Vibrations