Geometry & MOs

Info

ID:	170885
PubChem CID:	75292399
Reduced:	NO4C11H17 (1)
Stoich.:	AB4C11D17 (1)
Weight, g/mol:	406.164105
ΔH_f, kcal/mol:	-180.97
Dipole, Da:	6.38
IP(EA), eV:	-10.53(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-5-naphthalen-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

Drug info:

PubChemData

Smile

CCC1CC2CC1C(C2(C(=O)O)N)C(=O)O

DOS

IR

Vibrations