Geometry & MOs

Info

ID:	22230
PubChem CID:	596347
Reduced:	O3N5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	-56.27
Dipole, Da:	3.16
IP(EA), eV:	-8.71(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-diamino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-(4-methoxyphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCC(CN2CC3=C(C2)N=C(N=C3N)N)O

DOS

IR

Vibrations