Geometry & MOs

Info

ID:	446224
PubChem CID:	135273249
Reduced:	BrOC26H27 (1)
Stoich.:	ABC26D27 (1)
Weight, g/mol:	434.12453
ΔH_f, kcal/mol:	1.18
Dipole, Da:	2.13
IP(EA), eV:	-8.62(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-(3-bromopropoxy)phenyl]-6-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalene

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@@H]([C@@H](CC2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCCBr

DOS

IR

Vibrations