Geometry & MOs

Info

ID:	145652
PubChem CID:	53565060
Reduced:	N2S2O3C15H20 (1)
Stoich.:	A2B2C3D15E20 (1)
Weight, g/mol:	294.122909
ΔH_f, kcal/mol:	-88.6
Dipole, Da:	5.72
IP(EA), eV:	-8.93(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCSC1=NC=C(C=C1)C(=O)N(CC=C)C2CCS(=O)(=O)C2

DOS

IR

Vibrations