Geometry & MOs

Info

ID:	20181
PubChem CID:	582351
Reduced:	N2O2H12C13 (1)
Stoich.:	A2B2C12D13 (1)
Weight, g/mol:	228.089878
ΔH_f, kcal/mol:	-13.19
Dipole, Da:	2.56
IP(EA), eV:	-10.15(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-cyano-2-[4-(cyanomethyl)phenyl]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations