Geometry & MOs

Info

ID:	427826
PubChem CID:	135163872
Reduced:	NO3C18H31 (1)
Stoich.:	AB3C18D31 (1)
Weight, g/mol:	278.153147
ΔH_f, kcal/mol:	-174.82
Dipole, Da:	5.36
IP(EA), eV:	-9.75(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethenyl-6,7-dimethyl-6,6a-dihydro-5H-purino[7,8-a]quinoline

Drug info:

PubChemData

Smile

CCCCCC/C=C/CCCC(=O)N[C@@H]1[C@H]([C@@H](OC1=O)C)C

DOS

IR

Vibrations