Geometry & MOs

Info

ID:	364326
PubChem CID:	127315425
Reduced:	SO4N5C16H21 (1)
Stoich.:	AB4C5D16E21 (1)
Weight, g/mol:	289.215413
ΔH_f, kcal/mol:	-91.38
Dipole, Da:	6.89
IP(EA), eV:	-9.55(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-propan-2-ylpyrazol-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

Drug info:

PubChemData

Smile

CC(C1=NN=CN1C)NC(=O)C2=CC=CC=C2S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations