Geometry & MOs

Info

ID:	360271
PubChem CID:	127300914
Reduced:	SO2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	392.207307
ΔH_f, kcal/mol:	-7.44
Dipole, Da:	9.59
IP(EA), eV:	-9.21(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethyl-6-[3-oxo-3-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)C3CSCN3C(=O)C4=CC=CC=C4

DOS

IR

Vibrations