Geometry & MOs

Info

ID:	337565
PubChem CID:	127258188
Reduced:	N5O5C11H15 (1)
Stoich.:	A5B5C11D15 (1)
Weight, g/mol:	291.096754
ΔH_f, kcal/mol:	-145.84
Dipole, Da:	4.61
IP(EA), eV:	-9.27(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-7-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

COC1=NC(=NC2=C1C=NN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N

DOS

IR

Vibrations