Geometry & MOs

Info

ID:	143597
PubChem CID:	53233251
Reduced:	ClO2N5C27H38 (1)
Stoich.:	AB2C5D27E38 (1)
Weight, g/mol:	580.356597
ΔH_f, kcal/mol:	-71.74
Dipole, Da:	4.28
IP(EA), eV:	-8.57(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

3-[(E)-2-[1-[10-[4-[(E)-2-(1H-indol-3-yl)ethenyl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-yl]ethenyl]-1H-indole

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)Cl)N(C2=O)CCCN(C)C)C

DOS

IR

Vibrations