Geometry & MOs

Info

ID:	37339
PubChem CID:	8019878
Reduced:	Cl2N2O3C14H16 (1)
Stoich.:	A2B2C3D14E16 (1)
Weight, g/mol:	307.105587
ΔH_f, kcal/mol:	-134.64
Dipole, Da:	3.03
IP(EA), eV:	-9.27(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-nitro-4H-1,3-benzodioxin-8-yl)methyl cyclopentanecarboxylate

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1Cl)Cl)NC(=O)COC(=O)C2CCCC2

DOS

IR

Vibrations