Geometry & MOs

Info

ID:	15809
PubChem CID:	451958
Reduced:	O3N5C12H13 (1)
Stoich.:	A3B5C12D13 (1)
Weight, g/mol:	275.101839
ΔH_f, kcal/mol:	-58.0
Dipole, Da:	6.81
IP(EA), eV:	-8.67(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-7-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1=C[C@@H](O[C@@H]1CO)N2C=C(C3=C(N=CN=C32)N)C(=O)N

DOS

IR

Vibrations