Geometry & MOs

Info

ID:	168378
PubChem CID:	74959797
Reduced:	N2O3H16C17 (2)
Stoich.:	A2B3C16D17 (2)
Weight, g/mol:	278.101505
ΔH_f, kcal/mol:	-91.61
Dipole, Da:	7.63
IP(EA), eV:	-9.35(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-5-(4-methoxypyrrolo[3,2-d]pyrimidin-7-ylidene)pyrrolidine-3,4-diol

Drug info:

PubChemData

Smile

COC1=NC=NC2=C1N(C=C2C(=O)C3C(OC(O3)C4=CC=CC=C4)C5COC(N5)C6=CC=CC=C6)COCC7=CC=CC=C7

DOS

IR

Vibrations