Geometry & MOs

Info

ID:	393370
PubChem CID:	135020336
Reduced:	NO4H15C18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	423.336196
ΔH_f, kcal/mol:	-61.68
Dipole, Da:	6.26
IP(EA), eV:	-9.65(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(E)-5-[(1S,4aR,5S,8aR)-4a,5,8a-trimethyl-2-methylidene-3,4,5,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-9-methyl-8H-purin-6-amine

Drug info:

PubChemData

Smile

CCOC1(C(C2=CC=CC=C2OC1(C#N)C3=CC=CC=C3)[O-])[O-]

DOS

IR

Vibrations