Geometry & MOs

Info

ID:	342233
PubChem CID:	127265010
Reduced:	ClSN2O2C15H17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	267.064391
ΔH_f, kcal/mol:	-36.34
Dipole, Da:	3.86
IP(EA), eV:	-9.49(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(3-hydroxy-4-nitrophenyl)ethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CN(CCCOC)C(=O)C1=CN=C(S1)C2=CC=CC=C2Cl

DOS

IR

Vibrations