Geometry & MOs

Info

ID:	443240
PubChem CID:	135258257
Reduced:	BrFN4O4C11H12 (1)
Stoich.:	ABC4D4E11F12 (1)
Weight, g/mol:	263.113073
ΔH_f, kcal/mol:	-166.12
Dipole, Da:	3.73
IP(EA), eV:	-9.11(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-aminopurin-9-yl)-5-(diaziridin-3-yl)oxolan-3-ol

Drug info:

PubChemData

Smile

C1=NC(=C2C(=C(N(C2=N1)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)Br)F)N

DOS

IR

Vibrations