Geometry & MOs

Info

ID:	342158
PubChem CID:	127264871
Reduced:	NSO5C13H17 (1)
Stoich.:	ABC5D13E17 (1)
Weight, g/mol:	267.064391
ΔH_f, kcal/mol:	-110.54
Dipole, Da:	6.59
IP(EA), eV:	-8.97(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)OC(C)(C)C)SC=CC1=CC=C(O1)[N+](=O)[O-]

DOS

IR

Vibrations