Geometry & MOs

Info

ID:	47424
PubChem CID:	10532563
Reduced:	N5O5C40H49 (1)
Stoich.:	A5B5C40D49 (1)
Weight, g/mol:	679.551228
ΔH_f, kcal/mol:	-146.78
Dipole, Da:	8.45
IP(EA), eV:	-7.95(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,6-didodecylcarbazol-9-yl)penta-1,3-diynyl-triethylsilane

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=C(C3=NC2=C(C1=O)C4=NC(=CC5=C(C(=C(N5)C=C6C(=C(C(=C3)N6)CC)C)C(C)OCCC)C)[C@H]([C@@H]4CCC(=O)OC)C)C

DOS

IR

Vibrations