Geometry & MOs

Info

ID:	179678
PubChem CID:	76518321
Reduced:	PF3O6N8C30H32 (1)
Stoich.:	AB3C6D8E30F32 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-315.93
Dipole, Da:	9.98
IP(EA), eV:	-8.69(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3,4-dihydroxy-5-(2-phenylethyl)pyrrolidin-2-yl]-3,7a-dihydropyrrolo[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOP1(=O)CC2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=C(N=C(C=C4)C5=CN(CC6(COC6)CO1)N=C5)C(=O)NC)C(F)(F)F)OC

DOS

IR

Vibrations