Geometry & MOs

Info

ID:	48410
PubChem CID:	10545335
Reduced:	SN3H17C21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	344.07758
ΔH_f, kcal/mol:	141.98
Dipole, Da:	9.74
IP(EA), eV:	-8.71(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-4,4-dimethyl-1-(4-methylphenyl)-2,3-dihydronaphthalen-1-ol

Drug info:

PubChemData

Smile

C1CS/C(=C\C(=C(C#N)C#N)C2=CC=CC=C2)/N1CC3=CC=CC=C3

DOS

IR

Vibrations