Geometry & MOs

Info

ID:	259419
PubChem CID:	103165591
Reduced:	ClBr2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	296.154308
ΔH_f, kcal/mol:	6.0
Dipole, Da:	2.15
IP(EA), eV:	-9.8(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-4-(2-methoxyethyl)benzene

Drug info:

PubChemData

Smile

C1CC(C1)CC(C2=C(C=CC(=C2)Br)Br)Cl

DOS

IR

Vibrations