Geometry & MOs

Info

ID:	44482
PubChem CID:	10503743
Reduced:	NO2C13H23 (2)
Stoich.:	AB2C13D23 (2)
Weight, g/mol:	449.909546
ΔH_f, kcal/mol:	-206.64
Dipole, Da:	3.17
IP(EA), eV:	-8.38(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S,5R)-1,2,3,4,7,7-hexachloro-5-[(1S)-1-(4-methoxyphenoxy)ethyl]bicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=CC=C1NC(=O)OC(CN(CC)CC)COCCCC

DOS

IR

Vibrations