Geometry & MOs

Info

ID:	48991
PubChem CID:	11528590
Reduced:	NC7H7 (2)
Stoich.:	AB7C7 (2)
Weight, g/mol:	210.16198
ΔH_f, kcal/mol:	48.43
Dipole, Da:	3.29
IP(EA), eV:	-8.3(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-3-cyclooctylprop-2-enoate

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C3=C1C(=NC=C3)C

DOS

IR

Vibrations