Geometry & MOs

Info

ID:	169356
PubChem CID:	75092446
Reduced:	O3N5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	333.107319
ΔH_f, kcal/mol:	-52.89
Dipole, Da:	2.33
IP(EA), eV:	-9.03(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-7-[3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)OC2=CN=NC3=C2C=CN3C4CC5CCC(C4)N5C(=O)OC(C)(C)C

DOS

IR

Vibrations