Geometry & MOs

Info

ID:	427247
PubChem CID:	135156410
Reduced:	NO3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	345.194008
ΔH_f, kcal/mol:	-123.71
Dipole, Da:	4.72
IP(EA), eV:	-8.75(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-[2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(CN1CCC/C(=C\C2=CC=C(C=C2)C(=O)OC)/CC1)O

DOS

IR

Vibrations