Geometry & MOs

Info

ID:	393933
PubChem CID:	135021999
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	302.070972
ΔH_f, kcal/mol:	-86.64
Dipole, Da:	7.47
IP(EA), eV:	-10.87(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(4-chlorophenyl)-2-(phenoxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@]1(CCC[C@@]2([C@H]1CC(=O)O2)C)C#N

DOS

IR

Vibrations