Geometry & MOs

Info

ID:	144997
PubChem CID:	53447082
Reduced:	ClIN4O4H20C22 (1)
Stoich.:	ABC4D4E20F22 (1)
Weight, g/mol:	286.148828
ΔH_f, kcal/mol:	25.5
Dipole, Da:	7.46
IP(EA), eV:	-7.35(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-1-(4-ethylphenyl)propyl]-4-ethylbenzene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NN(N([NH2+]2)C(=O)C3=CC=CC=C3O)C4=CC=C(C=C4)Cl)OC.[I-]

DOS

IR

Vibrations