Geometry & MOs

Info

ID:	362620
PubChem CID:	127308888
Reduced:	ClSO2N4C14H17 (1)
Stoich.:	ABC2D4E14F17 (1)
Weight, g/mol:	343.212058
ΔH_f, kcal/mol:	-15.45
Dipole, Da:	5.49
IP(EA), eV:	-9.24(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)NCC2=CC=C(S2)Cl)CN3C=CC=N3

DOS

IR

Vibrations