Geometry & MOs

Info

ID:	37152
PubChem CID:	8017574
Reduced:	ClNO2H12C19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	339.006513
ΔH_f, kcal/mol:	3.39
Dipole, Da:	4.12
IP(EA), eV:	-9.11(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 6-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)OC(=O)C4=CN=C(C=C4)Cl

DOS

IR

Vibrations