Geometry & MOs

Info

ID:	84311
PubChem CID:	49865680
Reduced:	ON5C30H35 (1)
Stoich.:	AB5C30D35 (1)
Weight, g/mol:	592.13781
ΔH_f, kcal/mol:	28.68
Dipole, Da:	5.81
IP(EA), eV:	-8.26(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)pentyl-triphenylphosphanium;bromide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2NCCCN4CCC(CC4)C5=CC(=CC=C5)NC(=O)C

DOS

IR

Vibrations