Geometry & MOs

Info

ID:	383584
PubChem CID:	134975380
Reduced:	O2N3C11H13 (2)
Stoich.:	A2B3C11D13 (2)
Weight, g/mol:	336.191172
ΔH_f, kcal/mol:	-60.75
Dipole, Da:	1.38
IP(EA), eV:	-10.22(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-2-(2,2,4,4-tetramethylpentan-3-yl)-1-benzothiophene

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)(C2CN(CCC2=C(C#N)C#N)C(=O)OCC)C(C#N)C#N

DOS

IR

Vibrations