Geometry & MOs

Info

ID:	351192
PubChem CID:	127279750
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	348.183778
ΔH_f, kcal/mol:	-42.92
Dipole, Da:	6.31
IP(EA), eV:	-9.44(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-oxo-N-[phenyl(pyridin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations