Geometry & MOs

Info

ID:	8757
PubChem CID:	81197
Reduced:	NO2C9H13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	167.094629
ΔH_f, kcal/mol:	-57.24
Dipole, Da:	2.17
IP(EA), eV:	-11.3(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentyl 2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

CCCCCOC(=O)C(=C)C#N

DOS

IR

Vibrations