Geometry & MOs

Info

ID:	385984
PubChem CID:	134980470
Reduced:	ClN5C26H42 (1)
Stoich.:	AB5C26D42 (1)
Weight, g/mol:	423.336196
ΔH_f, kcal/mol:	9.29
Dipole, Da:	5.82
IP(EA), eV:	-8.41(-0.76)
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-8H-purin-6-amine

Drug info:

PubChemData

Smile

C[C@H]1CCC=C([C@]1(C)CC/C(=C/CC/C(=C/C[NH+]2CN(C3=NC=NC(=C32)N)C)/C)/C)C.[Cl-]

DOS

IR

Vibrations