Geometry & MOs

Info

ID:	298126
PubChem CID:	117647653
Reduced:	ON6C24H26 (1)
Stoich.:	AB6C24D26 (1)
Weight, g/mol:	690.364202
ΔH_f, kcal/mol:	95.7
Dipole, Da:	4.42
IP(EA), eV:	-8.46(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(2-aminoethyl)-5-[6-[3,5-bis(2-aminoethylcarbamoyl)phenyl]-9-ethylcarbazol-3-yl]-1-N-propylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C3=CN(N=C3)CCCN)C4=C(O2)C=CC(=C4)C5=CN(N=C5)CCCN

DOS

IR

Vibrations