Geometry & MOs

Info

ID:	48550
PubChem CID:	11108093
Reduced:	ClO3H9C14 (1)
Stoich.:	AB3C9D14 (1)
Weight, g/mol:	260.035255
ΔH_f, kcal/mol:	-59.25
Dipole, Da:	3.38
IP(EA), eV:	-9.09(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(pyridine-3-carbonylamino)benzoyl chloride

Drug info:

PubChemData

Smile

COC1=COC2=C(C1=O)C3=C(C=CC(=C3)Cl)C=C2

DOS

IR

Vibrations