Geometry & MOs

Info

ID:	336879
PubChem CID:	127255886
Reduced:	NO2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	561.248838
ΔH_f, kcal/mol:	-184.93
Dipole, Da:	6.16
IP(EA), eV:	-9.82(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]phenyl]-4-(cyclopropylmethylamino)-N-methylbut-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC=C)CC(=O)NCOC

DOS

IR

Vibrations