Geometry & MOs

Info

ID:	138010
PubChem CID:	52299603
Reduced:	FNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-88.91
Dipole, Da:	4.65
IP(EA), eV:	-9.42(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-7-methyl-8-[[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methyl]purine-2,6-dione

Drug info:

PubChemData

Smile

C1CCC(C1)(CNC(=O)C2=COC=C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations