Geometry & MOs

Info

ID:	13070
PubChem CID:	220678
Reduced:	NO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	-78.32
Dipole, Da:	6.18
IP(EA), eV:	-9.26(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-cyano-3-(2,5-dimethylphenyl)-2-hydroxyprop-2-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations