Geometry & MOs

Info

ID:	329122
PubChem CID:	126731324
Reduced:	OSN3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	608.38656
ΔH_f, kcal/mol:	-1.17
Dipole, Da:	5.51
IP(EA), eV:	-9.3(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-4-propoxyphenoxy)-5-[2-[4-(3,5-dimethyl-4-propoxyphenoxy)-3,5-dimethylphenyl]propan-2-yl]-1,3-dimethylbenzene

Drug info:

PubChemData

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CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)N(C)C(C)(C)C

DOS

IR

Vibrations