Geometry & MOs

Info

ID:	350524
PubChem CID:	127277886
Reduced:	SO3N4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	239.188529
ΔH_f, kcal/mol:	-61.27
Dipole, Da:	6.06
IP(EA), eV:	-8.63(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cycloheptyl-(3-methoxypiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CN=C4N(C3=O)CCS4

DOS

IR

Vibrations