Geometry & MOs

Info

ID:	57339
PubChem CID:	22395688
Reduced:	NOH5C6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	269.98916
ΔH_f, kcal/mol:	-18.02
Dipole, Da:	5.95
IP(EA), eV:	-9.88(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-bromo-2-ethoxyphenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CN=C(C=N2)C(=O)O

DOS

IR

Vibrations