Geometry & MOs

Info

ID:	361280
PubChem CID:	127302461
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-77.93
Dipole, Da:	1.18
IP(EA), eV:	-8.78(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(O1)C=CC(=C2)NC(=O)N[C@H]3[C@H](CC4=CC=CC=C34)O

DOS

IR

Vibrations