Geometry & MOs

Info

ID:	144711
PubChem CID:	53401514
Reduced:	BrN2H11C13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	162.06808
ΔH_f, kcal/mol:	66.67
Dipole, Da:	1.72
IP(EA), eV:	-8.44(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenylbut-2-enoic acid

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)NN)C3=C1C=C(C=C3)Br

DOS

IR

Vibrations