Geometry & MOs

Info

ID:	261446
PubChem CID:	103234453
Reduced:	BrO2N4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	209.085207
ΔH_f, kcal/mol:	2.58
Dipole, Da:	7.28
IP(EA), eV:	-9.14(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(4-fluoroanilino)-3-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)NCCN2C=C(N=N2)C(=O)O

DOS

IR

Vibrations