Geometry & MOs

Info

ID:	182304
PubChem CID:	76873700
Reduced:	O3N4H10C12 (1)
Stoich.:	A3B4C10D12 (1)
Weight, g/mol:	221.048821
ΔH_f, kcal/mol:	-48.89
Dipole, Da:	6.34
IP(EA), eV:	-9.37(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1C(=O)NC2=CC=CC=C2N1C(=O)C3C=NC(=O)N3

DOS

IR

Vibrations