Geometry & MOs

Info

ID:	227078
PubChem CID:	87560103
Reduced:	Cl2O2N6H20C25 (1)
Stoich.:	A2B2C6D20E25 (1)
Weight, g/mol:	526.355929
ΔH_f, kcal/mol:	47.79
Dipole, Da:	8.43
IP(EA), eV:	-9.02(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

anthracene-9-carboxylic acid;(2E)-3-[(1E)-cycloundecen-1-yl]-1,2-diazacycloundec-2-ene

Drug info:

PubChemData

Smile

CC(C1=NC(=C2C(=C1)C=CC=C2Cl)C(=O)Cl)NC3=C4C(=NC=N3)N(C=N4)CC5=CC=C(C=C5)OC

DOS

IR

Vibrations