Geometry & MOs

Info

ID:	69740
PubChem CID:	47205308
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-19.61
Dipole, Da:	4.19
IP(EA), eV:	-9.77(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-oxo-N-(1H-pyrazol-5-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)NCC2=CC=NN2)C(=O)N

DOS

IR

Vibrations