Geometry & MOs

Info

ID:	362193
PubChem CID:	127305916
Reduced:	OSN3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	386.211804
ΔH_f, kcal/mol:	-6.85
Dipole, Da:	4.72
IP(EA), eV:	-9.41(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

Drug info:

PubChemData

Smile

C1CCC2(CC1)CCCN(C2)C(=O)C3=CSN=N3

DOS

IR

Vibrations