Geometry & MOs

Info

ID:	369703
PubChem CID:	127335074
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	331.108754
ΔH_f, kcal/mol:	-160.33
Dipole, Da:	1.53
IP(EA), eV:	-9.65(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

Drug info:

PubChemData

Smile

C1CC2CC(CC(C1)C2=O)C(=O)N3C4CCC3CC(C4)O

DOS

IR

Vibrations