Geometry & MOs

Info

ID:	279923
PubChem CID:	103845726
Reduced:	NOF2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	169.110279
ΔH_f, kcal/mol:	-134.49
Dipole, Da:	0.76
IP(EA), eV:	-9.46(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylhexanoyl isocyanate

Drug info:

PubChemData

Smile

C[C@@H](CO)NC1CCC2=C1C=C(C=C2F)F

DOS

IR

Vibrations