Geometry & MOs

Info

ID:	266024
PubChem CID:	103557883
Reduced:	Br2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	318.07895
ΔH_f, kcal/mol:	-106.58
Dipole, Da:	2.07
IP(EA), eV:	-8.97(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-1-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-2,4-dimethoxybenzene

Drug info:

PubChemData

Smile

COCCOC1=C(C=C(C=C1)C(CC2(CCC2)OC)Br)Br

DOS

IR

Vibrations