Geometry & MOs

Info

ID:	133483
PubChem CID:	51534035
Reduced:	NOC5H7 (1)
Stoich.:	ABC5D7 (1)
Weight, g/mol:	457.30529
ΔH_f, kcal/mol:	-22.63
Dipole, Da:	2.69
IP(EA), eV:	-10.68(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-3-butyl-7-(2-methylpropyl)purine-2,6-dione

Drug info:

PubChemData

Smile

C[C@H](C#N)C(=O)C

DOS

IR

Vibrations