Geometry & MOs

Info

ID:	50340
PubChem CID:	12012861
Reduced:	BrO2N3H10C18 (1)
Stoich.:	AB2C3D10E18 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	103.77
Dipole, Da:	6.66
IP(EA), eV:	-9.58(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]ethanol

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)[N+](=O)[O-])N=C(C=C2)C3=CN=C4C=CC(=CC4=C3)Br

DOS

IR

Vibrations