Geometry & MOs

Info

ID:	19704
PubChem CID:	570779
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-26.8
Dipole, Da:	1.97
IP(EA), eV:	-9.86(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(cyano-cyclohexyl-phenylmethyl) ethaneperoxoate

Drug info:

PubChemData

Smile

CC(=O)OOC(C#N)(C1CCCCC1)C2=CC=CC=C2

DOS

IR

Vibrations