Geometry & MOs

Info

ID:	159648
PubChem CID:	57288578
Reduced:	ON12C26H58 (1)
Stoich.:	AB12C26D58 (1)
Weight, g/mol:	559.01807
ΔH_f, kcal/mol:	-57.88
Dipole, Da:	3.41
IP(EA), eV:	-8.81(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-(3,6-dibromocarbazol-9-yl)propyl]phenyl]-2-ethoxypropanoic acid

Drug info:

PubChemData

Smile

C(CCCCN=C(N)N)CCCC(CCOCCC(CCCCCCCCN=C(N)N)N=C(N)N)N=C(N)N

DOS

IR

Vibrations