Geometry & MOs

Info

ID:	82906
PubChem CID:	49856775
Reduced:	NOC13H13 (1)
Stoich.:	ABC13D13 (1)
Weight, g/mol:	394.196468
ΔH_f, kcal/mol:	9.73
Dipole, Da:	4.1
IP(EA), eV:	-9.42(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxy-4-(3-methylbutylamino)pyrrolo[2,3-d]pyrimidine-5-carboximidamide

Drug info:

PubChemData

Smile

C1CN2[C@H]3[C@@H]1C4=CC=CC=C4[C@H]3CC2=O

DOS

IR

Vibrations