Geometry & MOs

Info

ID:	429399
PubChem CID:	135169422
Reduced:	O2N5H29C50 (1)
Stoich.:	A2B5C29D50 (1)
Weight, g/mol:	429.97548
ΔH_f, kcal/mol:	223.05
Dipole, Da:	4.41
IP(EA), eV:	-8.26(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1,2-bis(4-bromophenyl)ethyl]-4-methylbenzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC4=C(C=C3)C5=CC=CC=C5O4)C6=CC(=CC=C6)N7C8=C(C9=C7C1=C(C=C9)N=C(O1)C1=CC=CC=C1)C1=CC=CC=C1C=C8

DOS

IR

Vibrations