Geometry & MOs

Info

ID:	433847
PubChem CID:	135173990
Reduced:	NOF2C10H21 (1)
Stoich.:	ABC2D10E21 (1)
Weight, g/mol:	542.195693
ΔH_f, kcal/mol:	-187.66
Dipole, Da:	3.48
IP(EA), eV:	-9.01(1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-amino-7-(4-chloro-3-hydroxyphenyl)-8-oxo-9-propan-2-ylpurin-2-yl]amino]-N-[2-(dimethylamino)ethyl]-3-fluorobenzamide

Drug info:

PubChemData

Smile

CC(C)NCC(COC(C)(C)C)(F)F

DOS

IR

Vibrations