Geometry & MOs

Info

ID:	358824
PubChem CID:	127296692
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-84.31
Dipole, Da:	3.95
IP(EA), eV:	-9.61(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylidenepiperidine-1-carbonyl)bicyclo[3.3.1]nonan-9-one

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)NC3CC3

DOS

IR

Vibrations