Geometry & MOs

Info

ID:	145650
PubChem CID:	53564794
Reduced:	SCl2N2O3C12H16 (1)
Stoich.:	AB2C2D3E12F16 (1)
Weight, g/mol:	336.146537
ΔH_f, kcal/mol:	-133.6
Dipole, Da:	3.29
IP(EA), eV:	-9.61(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-butyl-5-chloro-3-methylpyrazol-4-yl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=C(C=C1)Cl)Cl)NC(=O)CNS(=O)(=O)C

DOS

IR

Vibrations