Geometry & MOs

Info

ID:	10017
PubChem CID:	96357
Reduced:	NO2C9H13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	167.094629
ΔH_f, kcal/mol:	-80.12
Dipole, Da:	5.67
IP(EA), eV:	-11.13(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl 2-cyanoacetate

Drug info:

PubChemData

Smile

C1CCC(CC1)OC(=O)CC#N

DOS

IR

Vibrations