Geometry & MOs

Info

ID:	391491
PubChem CID:	135005784
Reduced:	NO5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	256.203845
ΔH_f, kcal/mol:	-219.31
Dipole, Da:	4.33
IP(EA), eV:	-9.76(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-11-hydroxyundec-2-enoate

Drug info:

PubChemData

Smile

C1[C@H](CC(O[C@@H]1CCNC(=O)OCC2=CC=CC=C2)O)O

DOS

IR

Vibrations