Geometry & MOs

Info

ID:	193413
PubChem CID:	78391577
Reduced:	TcO3N4C30H36 (1)
Stoich.:	AB3C4D30E36 (1)
Weight, g/mol:	500.278741
ΔH_f, kcal/mol:	98.51
Dipole, Da:	4.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.052356
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[2-[bis[2-[1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethylamino]ethyl]amino]ethylamino]ethylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(=C1C=CC=CC1=O)NCCN(CCNC(=C2C=CC=CC2=O)C)CCNC(=C3C=CC=CC3=O)C.[Tc]

DOS

IR

Vibrations