Geometry & MOs

Info

ID:	56703
PubChem CID:	22388052
Reduced:	ClOSC10H11 (1)
Stoich.:	ABCD10E11 (1)
Weight, g/mol:	352.101899
ΔH_f, kcal/mol:	-36.79
Dipole, Da:	3.35
IP(EA), eV:	-9.3(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dinitrophenol;ethyl 1-amino-2H-pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)C(=O)SC)Cl

DOS

IR

Vibrations