Geometry & MOs

Info

ID:	361397
PubChem CID:	127303263
Reduced:	OSN4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	313.153875
ΔH_f, kcal/mol:	73.14
Dipole, Da:	8.8
IP(EA), eV:	-9.23(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)C(=O)C4=CSC5=CC=CC=C54

DOS

IR

Vibrations