Geometry & MOs

Info

ID:	372369
PubChem CID:	131296629
Reduced:	SN2O2C11H14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	226.998535
ΔH_f, kcal/mol:	-48.57
Dipole, Da:	10.59
IP(EA), eV:	-8.99(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2-hydroxy-3-nitrophenyl)prop-2-enal

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(SC=C2N1C)C(=O)O

DOS

IR

Vibrations