Geometry & MOs

Info

ID:	443188
PubChem CID:	135258037
Reduced:	SN4O7C23H26 (1)
Stoich.:	AB4C7D23E26 (1)
Weight, g/mol:	226.10659
ΔH_f, kcal/mol:	-133.48
Dipole, Da:	4.95
IP(EA), eV:	-9.48(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-7-(2-hydroxyethoxymethyl)-4a,5,6,7-tetrahydropyrrolo[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C/C(=C(\C(=N/N)\C1=CC=CC=N1)/[N+](=O)[O-])/C2=CC=C(C=C2)S(=O)(=O)OC3CCC4(CC3)OCCO4

DOS

IR

Vibrations