Geometry & MOs

Info

ID:	26143
PubChem CID:	639212
Reduced:	INO2F3C16H17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	459.97078
ΔH_f, kcal/mol:	-196.32
Dipole, Da:	6.22
IP(EA), eV:	-9.17(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[2-(4-bromo-2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzene

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N(C[C@H]2CCC(=CO2)I)C(=O)C(F)(F)F

DOS

IR

Vibrations