Geometry & MOs

Info

ID:	179898
PubChem CID:	76552369
Reduced:	O5N7C26H33 (1)
Stoich.:	A5B7C26D33 (1)
Weight, g/mol:	252.133474
ΔH_f, kcal/mol:	-134.43
Dipole, Da:	3.12
IP(EA), eV:	-8.99(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(3-aminopiperidin-1-yl)-4,5-dihydro-3H-purine-2,6-dione

Drug info:

PubChemData

Smile

CC(=CCN1C2C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC(=O)C4=C5C(=CC=C4)N(C(=O)O5)C)C)C

DOS

IR

Vibrations