Geometry & MOs

Info

ID:	84883
PubChem CID:	49870559
Reduced:	ON7H19C22 (1)
Stoich.:	AB7C19D22 (1)
Weight, g/mol:	439.135448
ΔH_f, kcal/mol:	99.08
Dipole, Da:	3.36
IP(EA), eV:	-8.67(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-6-(4-hydroxyphenyl)-8-(4-methylphenyl)sulfanyl-7H-imidazo[1,2-a]pyrazin-3-one

Drug info:

PubChemData

Smile

C1CC2CN(CC1N2C(=O)C3=CC4=C(N3)C=CC(=C4)C#N)C5=NC=NC6=C5C=CN6

DOS

IR

Vibrations