Geometry & MOs

Info

ID:	261422
PubChem CID:	103232949
Reduced:	ClON3C10H14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	239.188529
ΔH_f, kcal/mol:	-28.59
Dipole, Da:	3.49
IP(EA), eV:	-9.33(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(cyclooctylamino)methyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNCC(C(=O)N)N)Cl

DOS

IR

Vibrations