Geometry & MOs

Info

ID:	259317
PubChem CID:	103163900
Reduced:	NOC9H13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	165.115364
ΔH_f, kcal/mol:	-19.56
Dipole, Da:	3.22
IP(EA), eV:	-10.48(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclobutyl-2-ethyl-3-oxobutanenitrile

Drug info:

PubChemData

Smile

CC(C#N)C(=O)CC1CCC1

DOS

IR

Vibrations