Geometry & MOs

Info

ID:	337895
PubChem CID:	127258518
Reduced:	FNO2C7H10 (1)
Stoich.:	ABC2D7E10 (1)
Weight, g/mol:	197.141579
ΔH_f, kcal/mol:	-121.61
Dipole, Da:	3.59
IP(EA), eV:	-11.45(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyano-3,3-dimethylbutyl) butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(C#N)F

DOS

IR

Vibrations