Geometry & MOs

Info

ID:	150148
PubChem CID:	53789835
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-48.66
Dipole, Da:	2.25
IP(EA), eV:	-8.69(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-1-methyl-7-(4-oxopentyl)purine-2,6-dione

Drug info:

PubChemData

Smile

CC1(C[C@H]2CCN(C[C@@H]2CC3=CC=CC=C31)C)O

DOS

IR

Vibrations