Geometry & MOs

Info

ID:	27313
PubChem CID:	820506
Reduced:	ClN2O2H9C15 (1)
Stoich.:	AB2C2D9E15 (1)
Weight, g/mol:	233.068808
ΔH_f, kcal/mol:	-0.45
Dipole, Da:	0.89
IP(EA), eV:	-9.33(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-nitrophenyl)methylidene]pent-4-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C(=CNC3=NC=C(C=C3)Cl)C2=O

DOS

IR

Vibrations