Geometry & MOs

Info

ID:	425940
PubChem CID:	135132916
Reduced:	OC8H9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	353.162708
ΔH_f, kcal/mol:	-21.59
Dipole, Da:	5.4
IP(EA), eV:	-9.26(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(4-methylphenyl) piperidine-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)C#CC2CC2)C)CC(=O)O

DOS

IR

Vibrations