Geometry & MOs

Info

ID:	186619
PubChem CID:	77456049
Reduced:	FO3N4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	437.197551
ΔH_f, kcal/mol:	-130.18
Dipole, Da:	2.43
IP(EA), eV:	-8.87(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(7-fluoro-11-methyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl)ethyl]-9-(oxan-2-yl)purin-6-amine

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=C(C(=C(C=C1)F)C#N)NC2=CC=CC=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations