Geometry & MOs

Info

ID:	365793
PubChem CID:	127318518
Reduced:	O2N6C19H24 (1)
Stoich.:	A2B6C19D24 (1)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	-5.57
Dipole, Da:	8.8
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-oxo-N-(1-pyridin-4-ylpyrazol-3-yl)bicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)N2CCCC(C2)C(=O)NC3=NN(C=C3)C4=CC=NC=C4

DOS

IR

Vibrations