Geometry & MOs

Info

ID:	431740
PubChem CID:	135171844
Reduced:	NH27C46 (1)
Stoich.:	AB27C46 (1)
Weight, g/mol:	310.00047
ΔH_f, kcal/mol:	211.9
Dipole, Da:	2.61
IP(EA), eV:	-8.0(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-5-(2-fluorophenyl)-2,4-dimethoxybenzene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C5=C3C6=CC=CC=C6N5C7=CC=C(C=C7)C8=C9C(=CC=C8)C1=CC=CC2=C1C9=CC=C2

DOS

IR

Vibrations