Geometry & MOs

Info

ID:	224265
PubChem CID:	85340921
Reduced:	OH8C9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	267.219829
ΔH_f, kcal/mol:	-24.61
Dipole, Da:	0.19
IP(EA), eV:	-8.96(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(6-hexylpiperidin-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(C2=CC=CC3=CC=CC=C32)O)O

DOS

IR

Vibrations