Geometry & MOs

Info

ID:	378559
PubChem CID:	134224650
Reduced:	NO3C29H41 (1)
Stoich.:	AB3C29D41 (1)
Weight, g/mol:	471.298473
ΔH_f, kcal/mol:	-152.17
Dipole, Da:	5.14
IP(EA), eV:	-8.71(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 1-[4-(4-tert-butylcyclohexyl)oxy-2-[(Z)-prop-1-enyl]phenyl]piperidine-4,4-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OCC1CCC(CC1)CC2=CC3=C(C=C2)C=C(C=C3)CN4CCC(CC4)C(=O)O

DOS

IR

Vibrations