Geometry & MOs

Info

ID:	13192
PubChem CID:	222866
Reduced:	NO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	205.073893
ΔH_f, kcal/mol:	-75.32
Dipole, Da:	4.41
IP(EA), eV:	-9.24(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[cyano-(4-methoxyphenyl)methyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C#N)C1=CC=C(C=C1)OC

DOS

IR

Vibrations