Geometry & MOs

Info

ID:	161719
PubChem CID:	57392419
Reduced:	N2F3O4H15C20 (1)
Stoich.:	A2B3C4D15E20 (1)
Weight, g/mol:	202.074228
ΔH_f, kcal/mol:	-223.17
Dipole, Da:	10.66
IP(EA), eV:	-9.26(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-3-(4-hydroxyphenyl)but-2-enamide

Drug info:

PubChemData

Smile

CC/C(=C(\C#N)/C(=O)NC1=CC(=C(C=C1)C2=CC(=C(C(=C2)F)F)F)C(=O)OC)/O

DOS

IR

Vibrations