Geometry & MOs

Info

ID:	148161
PubChem CID:	53787823
Reduced:	ClN4O8C65H75 (1)
Stoich.:	AB4C8D65E75 (1)
Weight, g/mol:	255.162314
ΔH_f, kcal/mol:	-192.71
Dipole, Da:	10.89
IP(EA), eV:	-8.85(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(4-ethoxyphenyl)ethyl]-2-ethylpyridine

Drug info:

Smile

CCC(C(=O)NC1=CC2=C(C=C1)OC(=C2)C(=O)C(C=C(C=C(C#N)C(=O)C3=COC4=C3C=C(C=C4)NC(=O)C(CC)OC5=C(C=C(C=C5)C(C)(C)CC)C(C)(C)CC)Cl)C#N)OC6=C(C=C(C=C6)C(C)(C)CC)C(C)(C)CC

DOS

IR

Vibrations