Geometry & MOs

Info

ID:	409562
PubChem CID:	135082344
Reduced:	O4C19H26 (1)
Stoich.:	A4B19C26 (1)
Weight, g/mol:	270.09642
ΔH_f, kcal/mol:	-173.44
Dipole, Da:	2.24
IP(EA), eV:	-9.38(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3a,6,7a-tetrahydropyrazolo[4,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC[C@H]1[C@@H](C(=O)C(=C(O1)CC2=C(C(=O)C(=C(O2)CC)C)C)C)C

DOS

IR

Vibrations