Geometry & MOs

Info

ID:	429456
PubChem CID:	135169505
Reduced:	BrFN2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	502.03299
ΔH_f, kcal/mol:	0.43
Dipole, Da:	5.63
IP(EA), eV:	-8.89(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[2-(4-bromophenyl)-1-[4-(3-methylbutan-2-yloxy)phenyl]ethyl]benzene

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C3C=C(C=C(C3=NC=C2)F)Br

DOS

IR

Vibrations