Geometry & MOs

Info

ID:	355379
PubChem CID:	127288440
Reduced:	OSN7C15H23 (1)
Stoich.:	ABC7D15E23 (1)
Weight, g/mol:	310.154209
ΔH_f, kcal/mol:	31.99
Dipole, Da:	6.57
IP(EA), eV:	-9.3(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)CSC3=NN=CN3C(C)C

DOS

IR

Vibrations