Geometry & MOs

Info

ID:	206586
PubChem CID:	80269458
Reduced:	ON2C14H24 (1)
Stoich.:	AB2C14D24 (1)
Weight, g/mol:	358.03352
ΔH_f, kcal/mol:	-70.04
Dipole, Da:	3.69
IP(EA), eV:	-9.11(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-7-[chloro-(1-ethylcyclopentyl)methyl]-2,3-dihydro-1,4-benzodioxine

Drug info:

PubChemData

Smile

CCC1(CCCC1)C(=O)N2CC[C@@H]3[C@H]2CNC3

DOS

IR

Vibrations