Geometry & MOs

Info

ID:	377860
PubChem CID:	134223925
Reduced:	ON4H26C37 (1)
Stoich.:	AB4C26D37 (1)
Weight, g/mol:	388.222472
ΔH_f, kcal/mol:	171.53
Dipole, Da:	1.32
IP(EA), eV:	-8.64(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[2-[4-(1-phenyl-1-propylsulfanylethyl)phenyl]propan-2-yl]benzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC3=C2N=C(C=C3)C4=CC(=CC=C4)C5=NC(=NC(=N5)C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations