Geometry & MOs

Info

ID:	303963
PubChem CID:	124491022
Reduced:	NC12H19 (1)
Stoich.:	AB12C19 (1)
Weight, g/mol:	255.147058
ΔH_f, kcal/mol:	-4.44
Dipole, Da:	1.65
IP(EA), eV:	-9.14(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)[C@@H](C(C)C)N

DOS

IR

Vibrations