Geometry & MOs

Info

ID:	224446
PubChem CID:	85342913
Reduced:	NO6C26H37 (1)
Stoich.:	AB6C26D37 (1)
Weight, g/mol:	459.240959
ΔH_f, kcal/mol:	-142.13
Dipole, Da:	5.26
IP(EA), eV:	-8.87(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dihydroxy-3-[7-(3,7,11-trimethyldodeca-2,6,10-trienyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CCCCC12C(CC(N1C(=O)OC(C)(C)C)C(=CC3=CC=CO3)C(=O)C2CC=C)OCOC

DOS

IR

Vibrations