Geometry & MOs

Info

ID:	357370
PubChem CID:	127294003
Reduced:	FN2O3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	393.241627
ΔH_f, kcal/mol:	-162.18
Dipole, Da:	6.41
IP(EA), eV:	-9.85(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-4-methyl-2-phenylpyrazol-3-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)NCC1C(=O)NC2(CCOCC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations