Geometry & MOs

Info

ID:	404798
PubChem CID:	135071060
Reduced:	ClO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	274.074228
ΔH_f, kcal/mol:	-90.85
Dipole, Da:	5.4
IP(EA), eV:	-9.85(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2,3-bis(3-cyanophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1([C@@H](CC(=O)O1)C2=CC(=CC=C2)Cl)C

DOS

IR

Vibrations