Geometry & MOs

Info

ID:	190689
PubChem CID:	78042449
Reduced:	ON3C8H10 (2)
Stoich.:	AB3C8D10 (2)
Weight, g/mol:	374.099136
ΔH_f, kcal/mol:	-14.2
Dipole, Da:	6.21
IP(EA), eV:	-8.62(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]ethyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CC1CC(OC1N2C=C(C3=C(N=CN=C32)N)C4=CC=NN4)C(C)O

DOS

IR

Vibrations