Geometry & MOs

Info

ID:	387540
PubChem CID:	134985765
Reduced:	BrNO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	249.998592
ΔH_f, kcal/mol:	-46.63
Dipole, Da:	3.12
IP(EA), eV:	-8.85(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-(2-chloro-2-ethoxyethyl)sulfanylbenzene

Drug info:

PubChemData

Smile

COC(=O)N1C=CC(C(=C1)Br)CC=C

DOS

IR

Vibrations