Geometry & MOs

Info

ID:	402677
PubChem CID:	135056821
Reduced:	NO3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	-115.03
Dipole, Da:	2.07
IP(EA), eV:	-9.31(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyano-2,4,6-trimethylphenyl) acetate

Drug info:

PubChemData

Smile

CC(=O)OCC\1CCCC/C1=N\OC

DOS

IR

Vibrations