Geometry & MOs

Info

ID:	127473
PubChem CID:	51003411
Reduced:	O3C15H16 (1)
Stoich.:	A3B15C16 (1)
Weight, g/mol:	326.097482
ΔH_f, kcal/mol:	-76.15
Dipole, Da:	3.48
IP(EA), eV:	-10.1(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-diamino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrimido[4,5-d]pyrimidine-2,5-dione

Drug info:

PubChemData

Smile

CC1=C2CC3=C([C@H]4C[C@H]4[C@@]3(C[C@@H]2OC1=O)C)C=O

DOS

IR

Vibrations