Geometry & MOs

Info

ID:	385983
PubChem CID:	134980467
Reduced:	O3C16H26 (1)
Stoich.:	A3B16C26 (1)
Weight, g/mol:	459.312874
ΔH_f, kcal/mol:	-153.11
Dipole, Da:	1.97
IP(EA), eV:	-9.09(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2E,6E)-3,7-dimethyl-9-[(1R,6S)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl]-9-methyl-7,8-dihydropurin-7-ium-6-amine;chloride

Drug info:

PubChemData

Smile

CCOC(=O)C(C/C(=C/C)/CCC=C(C)C)C(=O)C

DOS

IR

Vibrations