Geometry & MOs

Info

ID:	14553
PubChem CID:	414565
Reduced:	NO5C30H32 (1)
Stoich.:	AB5C30D32 (1)
Weight, g/mol:	486.228048
ΔH_f, kcal/mol:	-132.0
Dipole, Da:	2.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.358543
Charge, e:	1

Chem-info

IUPAC name:

but-2-enedioic acid;9-(4-hexoxyphenyl)-10-methylacridin-10-ium

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations