Geometry & MOs

Info

ID:	173165
PubChem CID:	75605038
Reduced:	OC6H8 (4)
Stoich.:	AB6C8 (4)
Weight, g/mol:	486.299964
ΔH_f, kcal/mol:	-85.61
Dipole, Da:	4.8
IP(EA), eV:	-9.1(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-chloro-N-methoxy-9-methyl-7-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)purin-9-ium-6-amine

Drug info:

PubChemData

Smile

CC1(CC2(C(CC(=O)O2)OO1)C)CCCCCCC=CC=CC3=CC=CC=C3

DOS

IR

Vibrations