Geometry & MOs

Info

ID:	145655
PubChem CID:	53565453
Reduced:	OS2N5C15H15 (1)
Stoich.:	AB2C5D15E15 (1)
Weight, g/mol:	309.15896
ΔH_f, kcal/mol:	63.85
Dipole, Da:	3.35
IP(EA), eV:	-9.13(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(4-methylphenyl)-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CSC=C2)C(=O)N3CCN4C(=NN=C4C3)C

DOS

IR

Vibrations