Geometry & MOs

Info

ID:	371389
PubChem CID:	127346116
Reduced:	SN2O3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	332.163711
ΔH_f, kcal/mol:	-28.41
Dipole, Da:	4.89
IP(EA), eV:	-9.65(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC1NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3C4CCC3C5=CC=CC=C45

DOS

IR

Vibrations