Geometry & MOs

Info

ID:	355386
PubChem CID:	127288449
Reduced:	OSN5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	305.131031
ΔH_f, kcal/mol:	24.61
Dipole, Da:	6.18
IP(EA), eV:	-9.39(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)CSCC3=CN=CC=C3

DOS

IR

Vibrations