Geometry & MOs

Info

ID:	360259
PubChem CID:	127300902
Reduced:	SO2N5C19H25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	364.164774
ΔH_f, kcal/mol:	-23.57
Dipole, Da:	1.68
IP(EA), eV:	-9.43(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-6-pyridin-2-yl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)C3CCCN3C(=O)CC4=CC=CS4

DOS

IR

Vibrations